CS-0615049
2-(Bis(3,3'',5,5''-tetramethyl-[1,1':3',1''-terphenyl]-5'-yl)phosphino)-N-((R)-(6-methoxyquinolin-4-yl)((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)benzamide
Manufacturer: ChemScene
CAS Number: 2769965-18-4
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Purity
98%
MDL No
None
Storage
4°C, protect from light, stored under nitrogen
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇₁H₇₀N₃O₂P
Molecular Weight
1028.31
Synonyms
None
SMILES
[H][C@]1([C@@H](NC(C2=CC=CC=C2P(C3=CC(C4=CC(C)=CC(C)=C4)=CC(C5=CC(C)=CC(C)=C5)=C3)C6=CC(C7=CC(C)=CC(C)=C7)=CC(C8=CC(C)=CC(C)=C8)=C6)=O)C9=C(C=C(OC)C=C%10)C%10=NC=C9)[N@](C[C@@H]%11C=C)CC[C@H]%11C1
Tpsa
54.46
Logp
15.5045
H Acceptors
4
H Donors
1
Rotatable Bonds
13
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₁H₇₀N₃O₂P
Molecular Weight: 1028.31
Synonyms: None
SMILES: [H][C@]1([C@@H](NC(C2=CC=CC=C2P(C3=CC(C4=CC(C)=CC(C)=C4)=CC(C5=CC(C)=CC(C)=C5)=C3)C6=CC(C7=CC(C)=CC(C)=C7)=CC(C8=CC(C)=CC(C)=C8)=C6)=O)C9=C(C=C(OC)C=C%10)C%10=NC=C9)[N@](C[C@@H]%11C=C)CC[C@H]%11C1
Tpsa: 54.46
Logp: 15.5045
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₁H₇₀N₃O₂P
Molecular Weight:
1028.31
Synonyms:
None
SMILES:
[H][C@]1([C@@H](NC(C2=CC=CC=C2P(C3=CC(C4=CC(C)=CC(C)=C4)=CC(C5=CC(C)=CC(C)=C5)=C3)C6=CC(C7=CC(C)=CC(C)=C7)=CC(C8=CC(C)=CC(C)=C8)=C6)=O)C9=C(C=C(OC)C=C%10)C%10=NC=C9)[N@](C[C@@H]%11C=C)CC[C@H]%11C1
Tpsa:
54.46
Logp:
15.5045
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁₁H₈₆N₃O₂P
Molecular Weight: 1524.86
Synonyms: None
SMILES: C=C[C@H]([C@](CC1)([H])C2)C[N@]1[C@@]2([H])[C@@H](C3=CC=NC4=C3C=C(OC)C=C4)NC(C(C=CC=C5)=C5P(C6=CC(C7=CC(C8=CC=CC=C8)=CC(C9=CC=CC=C9)=C7)=CC(C%10=CC(C%11=CC=CC=C%11)=CC(C%12=CC=CC=C%12)=C%10)=C6)C%13=CC(C%14=CC(C%15=CC=CC=C%15)=CC(C%16=CC=CC=C%16)=C%14)=CC(C%17=CC(C%18=CC=CC=C%18)=CC(C%19=CC=CC=C%19)=C%17)=C%13)=O
Tpsa: 54.46
Logp: 26.3731
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 21
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁₁H₈₆N₃O₂P
Molecular Weight:
1524.86
Synonyms:
None
SMILES:
C=C[C@H]([C@](CC1)([H])C2)C[N@]1[C@@]2([H])[C@@H](C3=CC=NC4=C3C=C(OC)C=C4)NC(C(C=CC=C5)=C5P(C6=CC(C7=CC(C8=CC=CC=C8)=CC(C9=CC=CC=C9)=C7)=CC(C%10=CC(C%11=CC=CC=C%11)=CC(C%12=CC=CC=C%12)=C%10)=C6)C%13=CC(C%14=CC(C%15=CC=CC=C%15)=CC(C%16=CC=CC=C%16)=C%14)=CC(C%17=CC(C%18=CC=CC=C%18)=CC(C%19=CC=CC=C%19)=C%17)=C%13)=O
Tpsa:
54.46
Logp:
26.3731
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
21
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉₅H₁₂₀N₃O₂P
Molecular Weight: 1366.96
Synonyms: None
SMILES: CC(C)(C)C1=CC(C(C)(C)C)=CC(C2=CC(P(C3=C(C=CC=C3)C(N[C@@H](C4=CC=NC5=C4C=C(OC)C=C5)[C@@]6([H])[N@@]7C[C@@H]([C@](CC7)([H])C6)CC)=O)C8=CC(C9=CC(C(C)(C)C)=CC(C(C)(C)C)=C9)=CC(C%10=CC(C(C)(C)C)=CC(C(C)(C)C)=C%10)=C8)=CC(C%11=CC(C(C)(C)C)=CC(C(C)(C)C)=C%11)=C2)=C1
Tpsa: 54.46
Logp: 23.6411
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉₅H₁₂₀N₃O₂P
Molecular Weight:
1366.96
Synonyms:
None
SMILES:
CC(C)(C)C1=CC(C(C)(C)C)=CC(C2=CC(P(C3=C(C=CC=C3)C(N[C@@H](C4=CC=NC5=C4C=C(OC)C=C5)[C@@]6([H])[N@@]7C[C@@H]([C@](CC7)([H])C6)CC)=O)C8=CC(C9=CC(C(C)(C)C)=CC(C(C)(C)C)=C9)=CC(C%10=CC(C(C)(C)C)=CC(C(C)(C)C)=C%10)=C8)=CC(C%11=CC(C(C)(C)C)=CC(C(C)(C)C)=C%11)=C2)=C1
Tpsa:
54.46
Logp:
23.6411
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉₄H₁₁₇N₃O₂P
Molecular Weight: 1351.93
Synonyms: None
SMILES: CC(C)(C)C1=CC(C(C)(C)C)=CC(C2=CC(P(C3=C(C=CC=C3)C(N[C@H](C4=CC=NC5=C4C=C([O])C=C5)[C@]6([H])[N@@]7C[C@@H]([C@](CC7)([H])C6)CC)=O)C8=CC(C9=CC(C(C)(C)C)=CC(C(C)(C)C)=C9)=CC(C%10=CC(C(C)(C)C)=CC(C(C)(C)C)=C%10)=C8)=CC(C%11=CC(C(C)(C)C)=CC(C(C)(C)C)=C%11)=C2)=C1
Tpsa: 65.46
Logp: 23.3381
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉₄H₁₁₇N₃O₂P
Molecular Weight:
1351.93
Synonyms:
None
SMILES:
CC(C)(C)C1=CC(C(C)(C)C)=CC(C2=CC(P(C3=C(C=CC=C3)C(N[C@H](C4=CC=NC5=C4C=C([O])C=C5)[C@]6([H])[N@@]7C[C@@H]([C@](CC7)([H])C6)CC)=O)C8=CC(C9=CC(C(C)(C)C)=CC(C(C)(C)C)=C9)=CC(C%10=CC(C(C)(C)C)=CC(C(C)(C)C)=C%10)=C8)=CC(C%11=CC(C(C)(C)C)=CC(C(C)(C)C)=C%11)=C2)=C1
Tpsa:
65.46
Logp:
23.3381
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
12