CAS RN: 97867-33-9

Ciprofloxacin lactate

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  • Product code: starshine_CAS97867-33-9
  • Purity/Analytical Methods: >99.0%
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97867-33-9 / 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;2-hydroxypropanoic acid

Standard CAS: 97867-33-9 Multi CAS: Yes

Basic Information

CAS
97867-33-9
Multi CAS
Yes
Molecular Formula
C20FH24N3O6
Molecular Weight
421.400000
Exact Mass
421.164914
InChI
InChI=1S/C17H18FN3O3.C3H6O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;1-2(4)3(5)6/h7-10,19H,1-6H2,(H,23,24);2,4H,1H3,(H,5,6)
InChIKey
NRBJWZSFNGZBFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
10
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
4
Molar refractivity
107.8
TPSA
132.1

LogP / Solubility

WLOGP
1.04
MLOGP
0.94
XLogP3
1.04
Consensus LogP
1.01
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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