CAS RN: 93107-08-5
Ciprofloxacin HCl
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS93107-08-5
- Purity/Analytical Methods: >99.0%
93107-08-5 / 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
Basic Information
CAS
93107-08-5
Multi CAS
Yes
Molecular Formula
C17H19CLFN3O3
Molecular Weight
367.800000
Exact Mass
367.109897
InChI
InChI=1S/C17H18FN3O3.ClH/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;/h7-10,19H,1-6H2,(H,23,24);1H
InChIKey
DIOIOSKKIYDRIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
95.73
TPSA
74.57
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
2.01
Consensus LogP
1.93
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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