CAS RN: 98079-51-7
Lomefloxacin
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS98079-51-7
- Purity/Analytical Methods: >99.0%
98079-51-7 / 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Basic Information
CAS
98079-51-7
Multi CAS
Yes
Molecular Formula
C17F2H19N3O3
Molecular Weight
351.350000
Exact Mass
351.139448
InChI
InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)
InChIKey
ZEKZLJVOYLTDKK-UHFFFAOYSA-N
Physical Properties
Melting Point
239-240.5 °C
239 - 240.5 °C
Physical Description
Solid
State
Solid
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
90.44
TPSA
74.57
LogP / Solubility
WLOGP
1.8
MLOGP
1.6
XLogP3
-0.8
Consensus LogP
0.87
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-3.59
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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