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CAS 30034-03-8 Sodium cefamandole molecular structure lightbox
CAS RN: 30034-03-8

Sodium cefamandole

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250410 10mg Out of stock Inquiry
Batchno.20250803 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251208 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS30034-03-8
  • Purity/Analytical Methods: >99.0%
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30034-03-8 / sodium (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Standard CAS: 30034-03-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30034-03-8
Multi CAS
Yes
Molecular Formula
C18H17N6NAO5S2
Molecular Weight
484.500000
Exact Mass
484.059954
InChI
InChI=1S/C18H18N6O5S2.Na/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9;/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29);/q;+1/p-1/t11-,13-,16-;/m1./s1
InChIKey
OJMNTWPPFNMOCJ-CFOLLTDRSA-M

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
2
Molar refractivity
107.98
TPSA
153.37

LogP / Solubility

WLOGP
-4.56
MLOGP
-3.98
XLogP3
-4.56
Consensus LogP
-4.37
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.13
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)
-8.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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