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CAS 70458-92-3 Pefloxacin molecular structure lightbox
CAS RN: 70458-92-3

Pefloxacin

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251117 10mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 15 business days Inquiry
  • Product code: starshine_CAS70458-92-3
  • Purity/Analytical Methods: >99.0%
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70458-92-3 / 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

Standard CAS: 70458-92-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
70458-92-3
Multi CAS
Yes
Molecular Formula
C17FH20N3O3
Molecular Weight
333.360000
Exact Mass
333.148870
InChI
InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)
InChIKey
FHFYDNQZQSQIAI-UHFFFAOYSA-N

Physical Properties

Melting Point
271 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
90.51
TPSA
65.78

LogP / Solubility

WLOGP
1.61
MLOGP
1.43
XLogP3
0.3
Consensus LogP
1.11
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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