CS-0570015
3-Ethoxy-4-(((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-烯-1,2-dione
Manufacturer: ChemScene
CAS Number: 1485572-63-1
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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
C₂₆H₂₉N₃O₄
Molecular Weight
447.53
Synonyms
None
SMILES
O=C1C(C(OCC)=C1N[C@H]([C@@H]2C[C@H]3[C@H](C[N@@]2CC3)C=C)C4=CC=NC5=CC=C(OC)C=C45)=O
Tpsa
80.76
Logp
3.2877
H Acceptors
7
H Donors
1
Rotatable Bonds
8
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: C₂₆H₂₉N₃O₄
Molecular Weight: 447.53
Synonyms: None
SMILES: O=C1C(C(OCC)=C1N[C@H]([C@@H]2C[C@H]3[C@H](C[N@@]2CC3)C=C)C4=CC=NC5=CC=C(OC)C=C45)=O
Tpsa: 80.76
Logp: 3.2877
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₉N₃O₄
Molecular Weight:
447.53
Synonyms:
None
SMILES:
O=C1C(C(OCC)=C1N[C@H]([C@@H]2C[C@H]3[C@H](C[N@@]2CC3)C=C)C4=CC=NC5=CC=C(OC)C=C45)=O
Tpsa:
80.76
Logp:
3.2877
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₇F₆N₃O₂
Molecular Weight: 491.47
Synonyms: None
SMILES: O=C1C(C(NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=C1N[C@H](CN3CCCCC3)C(C)(C)C)=O
Tpsa: 61.44
Logp: 5.3763
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₇F₆N₃O₂
Molecular Weight:
491.47
Synonyms:
None
SMILES:
O=C1C(C(NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=C1N[C@H](CN3CCCCC3)C(C)(C)C)=O
Tpsa:
61.44
Logp:
5.3763
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₃₀NOP
Molecular Weight: 355.45
Synonyms: None
SMILES: CC(C)(C)C(N[C@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C)=O
Tpsa: 29.1
Logp: 4.3062
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₃₀NOP
Molecular Weight:
355.45
Synonyms:
None
SMILES:
CC(C)(C)C(N[C@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C)=O
Tpsa:
29.1
Logp:
4.3062
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₂₆F₆NOP
Molecular Weight: 525.47
Synonyms: None
SMILES: O=C(N([C@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C)C)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3
Tpsa: 20.31
Logp: 6.9537
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₂₆F₆NOP
Molecular Weight:
525.47
Synonyms:
None
SMILES:
O=C(N([C@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C)C)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3
Tpsa:
20.31
Logp:
6.9537
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
7