CAS RN: 51762-04-0
Cephalosporin C sodium salt
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: LINC888200
51762-04-0 / sodium (6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Basic Information
CAS
51762-04-0
Multi CAS
Yes
Molecular Formula
C16H20N3NAO8S
Molecular Weight
437.400000
Exact Mass
437.086880
InChI
InChI=1S/C16H21N3O8S.Na/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);/q;+1/p-1/t9-,11-,14-;/m1./s1
InChIKey
HZWLVUKHUSRPCG-OOARYINLSA-M
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.56
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
3
Molar refractivity
93.15
TPSA
179.16
LogP / Solubility
WLOGP
-5.46
MLOGP
-4.78
XLogP3
-5.46
Consensus LogP
-5.23
Log S (ESOL)
1.48
Class (ESOL)
Highly soluble
Log S (Ali)
0.8
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.95
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
-
5,11-dihydro-6H-11-ethyl-4-Methyl-dipyrido[3,2-b:2′,3′-e][1,4]diazepin-6-one
- CAS RN: 133627-17-5
- Product Code: LINH917325
-
-
-
-
5,5′-(Diazene-1,2-diyl)bis(2-hydroxybenzoic acid)
- CAS RN: 15722-48-2
- Product Code: LIND914104
![CAS 133627-17-5 5,11-dihydro-6H-11-ethyl-4-Methyl-dipyrido[3,2-b:2′,3′-e][1,4]diazepin-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/133627-17-5.png)
