CS-1001378
7-(3,5-Dioxo-1-piperazinyl)-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Manufacturer: ChemScene
CAS Number: 1426313-01-0
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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
C₁₆H₁₄FN₃O₅
Molecular Weight
347.30
Synonyms
None
SMILES
O=C(O)C1=CN(C2=CC(=C(F)C=C2C1=O)N3CC(=O)NC(=O)C3)CC
Tpsa
108.71
Logp
0.3215
H Acceptors
6
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: C₁₆H₁₄FN₃O₅
Molecular Weight: 347.30
Synonyms: None
SMILES: O=C(O)C1=CN(C2=CC(=C(F)C=C2C1=O)N3CC(=O)NC(=O)C3)CC
Tpsa: 108.71
Logp: 0.3215
H Acceptors: 6
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:
C₁₆H₁₄FN₃O₅
Molecular Weight:
347.30
Synonyms:
None
SMILES:
O=C(O)C1=CN(C2=CC(=C(F)C=C2C1=O)N3CC(=O)NC(=O)C3)CC
Tpsa:
108.71
Logp:
0.3215
H Acceptors:
6
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: C₃₀H₃₆N₈O₈S₂
Molecular Weight: 700.79
Synonyms: None
SMILES: C(=O)(C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1SC3CN4[N+](C3)=CN=C4)[H])N5[C@@]([C@@H]([C@@H](C)O)C([O-])=O)([C@@H](C)C(SC6CN7[N+](C6)=CN=C7)=C5C([O-])=O)[H]
Tpsa: 204.74
Logp: -3.79
H Acceptors: 14
H Donors: 2
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:
C₃₀H₃₆N₈O₈S₂
Molecular Weight:
700.79
Synonyms:
None
SMILES:
C(=O)(C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1SC3CN4[N+](C3)=CN=C4)[H])N5[C@@]([C@@H]([C@@H](C)O)C([O-])=O)([C@@H](C)C(SC6CN7[N+](C6)=CN=C7)=C5C([O-])=O)[H]
Tpsa:
204.74
Logp:
-3.79
H Acceptors:
14
H Donors:
2
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: C₁₄H₁₅N₃O₂
Molecular Weight: 257.29
Synonyms: None
SMILES: C(#N)[C@H]1[N@@]2C(=O)N(OCC3=CC=CC=C3)[C@@](C2)(CC1)[H]
Tpsa: 56.57
Logp: 1.91038
H Acceptors: 3
H Donors: 0
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:
C₁₄H₁₅N₃O₂
Molecular Weight:
257.29
Synonyms:
None
SMILES:
C(#N)[C@H]1[N@@]2C(=O)N(OCC3=CC=CC=C3)[C@@](C2)(CC1)[H]
Tpsa:
56.57
Logp:
1.91038
H Acceptors:
3
H Donors:
0
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: C₁₃H₁₆Cl₂N₂O
Molecular Weight: 287.18
Synonyms: None
SMILES: O=C1N(C=2C=CC=CC2N1CCCCl)CCCCl
Tpsa: 26.93
Logp: 3.0608
H Acceptors: 3
H Donors: 0
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:
C₁₃H₁₆Cl₂N₂O
Molecular Weight:
287.18
Synonyms:
None
SMILES:
O=C1N(C=2C=CC=CC2N1CCCCl)CCCCl
Tpsa:
26.93
Logp:
3.0608
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6