CS-1002559
1-(6-Amino-3,5-difluoro-2-pyridinyl)-8-chloro-7-[(3-chloro-2-hydroxypropyl)amino]-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Manufacturer: ChemScene
CAS Number: 2097714-13-9
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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
C₁₈H₁₃Cl₂F₃N₄O₄
Molecular Weight
477.22
Synonyms
None
SMILES
O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(NCC(O)CCl)=C(F)C=C3C1=O
Tpsa
130.47
Logp
2.7484
H Acceptors
7
H Donors
4
Rotatable Bonds
6
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: C₁₈H₁₃Cl₂F₃N₄O₄
Molecular Weight: 477.22
Synonyms: None
SMILES: O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(NCC(O)CCl)=C(F)C=C3C1=O
Tpsa: 130.47
Logp: 2.7484
H Acceptors: 7
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:
C₁₈H₁₃Cl₂F₃N₄O₄
Molecular Weight:
477.22
Synonyms:
None
SMILES:
O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(NCC(O)CCl)=C(F)C=C3C1=O
Tpsa:
130.47
Logp:
2.7484
H Acceptors:
7
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: C₁₀H₁₃NO₃
Molecular Weight: 195.22
Synonyms: None
SMILES: [C@H](NC(OC)=O)(CO)C1=CC=CC=C1
Tpsa: 58.56
Logp: 1.076
H Acceptors: 3
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:
C₁₀H₁₃NO₃
Molecular Weight:
195.22
Synonyms:
None
SMILES:
[C@H](NC(OC)=O)(CO)C1=CC=CC=C1
Tpsa:
58.56
Logp:
1.076
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₉F₃N₄O₆
Molecular Weight: 514.49
Synonyms: None
SMILES: O=C(O)C(F)(F)F.O=C1NC(=O)C(N2C(=O)C=3C=CC=C(NCCCCCCCCN)C3C2=O)CC1
Tpsa: 158.9
Logp: 2.4323
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 10
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₉F₃N₄O₆
Molecular Weight:
514.49
Synonyms:
None
SMILES:
O=C(O)C(F)(F)F.O=C1NC(=O)C(N2C(=O)C=3C=CC=C(NCCCCCCCCN)C3C2=O)CC1
Tpsa:
158.9
Logp:
2.4323
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₆ClNO₂
Molecular Weight: 193.67
Synonyms: None
SMILES: Cl.O=C(O)C1CC(CCCN)C1
Tpsa: 63.32
Logp: 1.2579
H Acceptors: 2
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:
C₈H₁₆ClNO₂
Molecular Weight:
193.67
Synonyms:
None
SMILES:
Cl.O=C(O)C1CC(CCCN)C1
Tpsa:
63.32
Logp:
1.2579
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4