CAS RN: 92823-03-5
Flomoxef sodium
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6 package records6 with current stock1 grade group
- Product code: starshine_CAS92823-03-5
- Purity/Analytical Methods: >99.0%
92823-03-5 / sodium (6R,7R)-7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Basic Information
CAS
92823-03-5
Multi CAS
Yes
Molecular Formula
C15H17F2N6NAO7S2
Molecular Weight
518.500000
Exact Mass
518.046590
InChI
InChI=1S/C15H18F2N6O7S2.Na/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24;/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27);/q;+1/p-1/t12-,15+;/m1./s1
InChIKey
PPPZBOLFWGINKN-YLCXCWDSSA-M
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
11
H-bond acceptors
13
H-bond donors
2
Molar refractivity
100.59
TPSA
171.83
LogP / Solubility
WLOGP
-5.62
MLOGP
-4.91
XLogP3
-5.62
Consensus LogP
-5.38
Log S (ESOL)
1.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.25
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.32
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.87
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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