CAS RN: 64485-93-4
Cefotaxime Sodium Salt
Product Availability
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2 package records2 with current stock2 grade groups
- Product code: ICTC2224
- Purity/Analytical Methods: >96.0%(HPLC)
64485-93-4 / sodium (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Basic Information
CAS
64485-93-4
Multi CAS
Yes
Molecular Formula
C16H16N5NAO7S2
Molecular Weight
477.500000
Exact Mass
477.038885
InChI
InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1
InChIKey
AZZMGZXNTDTSME-JUZDKLSSSA-M
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
12
H-bond donors
2
Molar refractivity
103.76
TPSA
176.34
LogP / Solubility
WLOGP
-4.95
MLOGP
-4.33
XLogP3
-4.95
Consensus LogP
-4.74
Log S (ESOL)
0.66
Class (ESOL)
Highly soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.51
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)
-9.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
