CS-0615053
2-(Bis(3,3'',5,5''-tetra-tert-butyl-[1,1':3',1''-terphenyl]-5'-yl)phosphino)-N-((S)-((1S,2S,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methyl)benzamide
Manufacturer: ChemScene
CAS Number: 2769965-28-6
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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
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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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
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₅IO
Molecular Weight: 338.18
Synonyms: None
SMILES: ICCC1=CC=C(OCC2=CC=CC=C2)C=C1
Tpsa: 9.23
Logp: 4.2431
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₅IO
Molecular Weight:
338.18
Synonyms:
None
SMILES:
ICCC1=CC=C(OCC2=CC=CC=C2)C=C1
Tpsa:
9.23
Logp:
4.2431
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀N₂O₂
Molecular Weight: 154.17
Synonyms: None
SMILES: O=C1NC(C(C)C)=NC(O)=C1
Tpsa: 65.98
Logp: 0.5989
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₀N₂O₂
Molecular Weight:
154.17
Synonyms:
None
SMILES:
O=C1NC(C(C)C)=NC(O)=C1
Tpsa:
65.98
Logp:
0.5989
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1