CAS RN: 91296-86-5
Difluoxacin hydrochloride
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock3 grade groups
- Product code: starshine_CAS91296-86-5
- Purity/Analytical Methods: >99.0%
91296-86-5 / 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
Basic Information
CAS
91296-86-5
Multi CAS
Yes
Molecular Formula
C21H20CLF2N3O3
Molecular Weight
435.800000
Exact Mass
435.116126
InChI
InChI=1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H
InChIKey
JFMGBGLSDVIOHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
113.38
TPSA
65.78
LogP / Solubility
WLOGP
3.14
MLOGP
2.79
XLogP3
3.14
Consensus LogP
3.02
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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
Yes
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
-
6-ANILINO-5,8-QUINOLINEDIONE
- CAS RN: 91300-60-6
- Product Code: starshine_CAS91300-60-6
- Purity/Analytical method: >99.0%
-
-
