CS-0914525
7-((S)-7-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
Manufacturer: ChemScene
CAS Number: 147714-76-9
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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
C₁₉H₂₀ClF₂N₃O₃
Molecular Weight
411.83
Synonyms
None
SMILES
N[C@H]1C2(CN(C1)C=3C=C4N(C=C(C(O)=O)C(=O)C4=CC3F)[C@H]5[C@@H](F)C5)CC2.Cl
Tpsa
88.56
Logp
2.471
H Acceptors
5
H Donors
2
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: C₁₉H₂₀ClF₂N₃O₃
Molecular Weight: 411.83
Synonyms: None
SMILES: N[C@H]1C2(CN(C1)C=3C=C4N(C=C(C(O)=O)C(=O)C4=CC3F)[C@H]5[C@@H](F)C5)CC2.Cl
Tpsa: 88.56
Logp: 2.471
H Acceptors: 5
H Donors: 2
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:
C₁₉H₂₀ClF₂N₃O₃
Molecular Weight:
411.83
Synonyms:
None
SMILES:
N[C@H]1C2(CN(C1)C=3C=C4N(C=C(C(O)=O)C(=O)C4=CC3F)[C@H]5[C@@H](F)C5)CC2.Cl
Tpsa:
88.56
Logp:
2.471
H Acceptors:
5
H Donors:
2
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: C₁₂H₇ClF₃NO
Molecular Weight: 273.64
Synonyms: None
SMILES: ClC1=C2N(C=CC(=O)C2=CC(F)=C1F)[C@H]3[C@@H](F)C3
Tpsa: 22
Logp: 3.216
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₇ClF₃NO
Molecular Weight:
273.64
Synonyms:
None
SMILES:
ClC1=C2N(C=CC(=O)C2=CC(F)=C1F)[C@H]3[C@@H](F)C3
Tpsa:
22
Logp:
3.216
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₃₈ClN₇O₇S₂
Molecular Weight: 720.26
Synonyms: None
SMILES: S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@@H]3[C@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@H](C(N(C)C)=O)C3
Tpsa: 191
Logp: 2.53132
H Acceptors: 10
H Donors: 4
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:
C₃₁H₃₈ClN₇O₇S₂
Molecular Weight:
720.26
Synonyms:
None
SMILES:
S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@@H]3[C@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@H](C(N(C)C)=O)C3
Tpsa:
191
Logp:
2.53132
H Acceptors:
10
H Donors:
4
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: C₃₁H₃₈ClN₇O₇S₂
Molecular Weight: 720.26
Synonyms: None
SMILES: S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@H]3[C@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@@H](C(N(C)C)=O)C3
Tpsa: 191
Logp: 2.53132
H Acceptors: 10
H Donors: 4
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:
C₃₁H₃₈ClN₇O₇S₂
Molecular Weight:
720.26
Synonyms:
None
SMILES:
S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@H]3[C@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@@H](C(N(C)C)=O)C3
Tpsa:
191
Logp:
2.53132
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
6