3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester
TL;DR: 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester (CAS 95672-01-8) is a chemical compound with molecular formula C14H18ClNO7S and molecular weight 379.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-chloro-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Amcccdb, 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester, tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-chloro-5,5,8-trioxo-5, t-butyl 7alpha-chloro-3-acetoxymethyl-3-cephem-4-carboxylate-1,1-dioxide, tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-chloro-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C14H18ClNO7S |
|---|---|
| Molecular Weight | 379.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.04926 |
| Heavy Atoms | 24 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 95672-01-8 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)Cl)S(=O)(=O)C1)C(=O)OC(C)(C)C |
| InChIKey | QVPFKKWKDKAYSA-JOYOIKCWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester (CAS 95672-01-8), with molecular formula C14H18ClNO7S and molecular weight 379.05 g/mol. IUPAC: tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-chloro-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester
Property Insights of 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester. Following Lipinski's Rule of Five, 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester?
The CAS number of 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester is 95672-01-8.
What is the molecular formula of 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester?
The molecular formula of 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester is C14H18ClNO7S.
What is the molecular weight of 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester?
The molecular weight of 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester is 379.05 g/mol.
Where can I buy 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester?
You can request a quote for 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxymethyl-7-chloro-3-cephem-4-carboxylate-1,1-dioxide tert-butylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.