CS-0914269
1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)quinolin-4(1H)-one hydrochloride
Manufacturer: ChemScene
CAS Number: 2664848-61-5
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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
C₂₀H₂₅ClFN₃O₂
Molecular Weight
393.88
Synonyms
None
SMILES
O(C)C1=C2N(C=CC(=O)C2=CC(F)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa
46.5
Logp
3.0941
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₀H₂₅ClFN₃O₂
Molecular Weight: 393.88
Synonyms: None
SMILES: O(C)C1=C2N(C=CC(=O)C2=CC(F)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa: 46.5
Logp: 3.0941
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₅ClFN₃O₂
Molecular Weight:
393.88
Synonyms:
None
SMILES:
O(C)C1=C2N(C=CC(=O)C2=CC(F)=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5.Cl
Tpsa:
46.5
Logp:
3.0941
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₅N₃O₄
Molecular Weight: 383.44
Synonyms: None
SMILES: O(C)C1=C2N(C=C(C(O)=O)C(=O)C2=CC=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5
Tpsa: 83.8
Logp: 2.2314
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₅N₃O₄
Molecular Weight:
383.44
Synonyms:
None
SMILES:
O(C)C1=C2N(C=C(C(O)=O)C(=O)C2=CC=C1N3C[C@]4([C@@](C3)(NCCC4)[H])[H])C5CC5
Tpsa:
83.8
Logp:
2.2314
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₁NO₄
Molecular Weight: 281.26
Synonyms: None
SMILES: C(\O)(=C\1/C=2C(NC1=O)=CC(C(O)=O)=CC2)/C3=CC=CC=C3
Tpsa: 86.63
Logp: 2.7632
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₁NO₄
Molecular Weight:
281.26
Synonyms:
None
SMILES:
C(\O)(=C\1/C=2C(NC1=O)=CC(C(O)=O)=CC2)/C3=CC=CC=C3
Tpsa:
86.63
Logp:
2.7632
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂O₂
Molecular Weight: 200.23
Synonyms: None
SMILES: O=C(C=1C=CC=2C(OC)=CC=CC2C1)C
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂O₂
Molecular Weight:
200.23
Synonyms:
None
SMILES:
O=C(C=1C=CC=2C(OC)=CC=CC2C1)C
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A