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CAS 103460-89-5 8-Demethoxy-8-fluoro Gatifloxacin molecular structure lightbox
CAS RN: 103460-89-5

8-Demethoxy-8-fluoro Gatifloxacin

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8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260310 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
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Batchno.20260505 100mg In stock Shanghai Inquiry
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Batchno.20260114 1g In stock Inquiry
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  • Product code: starshine_CAS103460-89-5
  • Purity/Analytical Methods: >99.0%
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103460-89-5 / 1-cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

1-Cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 8-Demethoxy-8-fluoro Gatifloxacin | AMQ2

Standard CAS: 103460-89-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103460-89-5
Multi CAS
No
Molecular Formula
C18H19F2N3O3
Molecular Weight
363.400000
Exact Mass
363.139448
SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C18H19F2N3O3/c1-9-7-22(5-4-21-9)16-13(19)6-11-15(14(16)20)23(10-2-3-10)8-12(17(11)24)18(25)26/h6,8-10,21H,2-5,7H2,1H3,(H,25,26)
InChIKey
ZHKOPMSOBOQYRH-UHFFFAOYSA-N
Synonyms
1-Cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 8-Demethoxy-8-fluoro Gatifloxacin AMQ2 1-cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid PD125275

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
93.03
TPSA
74.57

LogP / Solubility

WLOGP
2.11
MLOGP
1.88
XLogP3
-0.6
Consensus LogP
1.13
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.13
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)
-3.44

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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