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CAS 197291-75-1 9-Piperazino Ofloxacin molecular structure lightbox
CAS RN: 197291-75-1

9-Piperazino Ofloxacin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS197291-75-1
  • Purity/Analytical Methods: >99.0%
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197291-75-1 / 6-fluoro-2-methyl-7-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Standard CAS: 197291-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197291-75-1
Multi CAS
No
Molecular Formula
C18H20FN3O4
Molecular Weight
361.400000
Exact Mass
361.143784
SMILES
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2F)N4CCN(CC4)C)C(=O)O
InChI
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14(19)13(21-5-3-20(2)4-6-21)7-11-15(17)22(10)8-12(16(11)23)18(24)25/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
InChIKey
FHAKLRRIGREDDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
95.04
TPSA
75.01

LogP / Solubility

WLOGP
1.54
MLOGP
1.38
XLogP3
-0.4
Consensus LogP
0.84
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83

Drug-likeness / Medicinal Chemistry

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

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