p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate
TL;DR: p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate (CAS 53994-83-5) is a chemical compound with molecular formula C14H12ClN3O5S and molecular weight 369.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Cefaclor Impurity 21, Cefaclor Impurity 57, EINECS 258-910-0, p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate, (4-nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C14H12ClN3O5S |
|---|---|
| Molecular Weight | 369.02 g/mol |
| LogP | 1.3308 |
| Topological Polar Surface Area | 115.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.01862 |
| Heavy Atoms | 24 |
| Complexity | 751.28174 |
Chemical Identifiers
| CAS Number | 53994-83-5 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate (CAS 53994-83-5), with molecular formula C14H12ClN3O5S and molecular weight 369.02 g/mol. IUPAC: (4-nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate
Property Insights of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate
The XLogP value of 1.3308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate. The TPSA of 115.77 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate. Following Lipinski's Rule of Five, p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate has 1 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 p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate?
The CAS number of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate is 53994-83-5.
What is the molecular formula of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate?
The molecular formula of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate is C14H12ClN3O5S.
What is the molecular weight of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate?
The molecular weight of p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate is 369.02 g/mol.
Where can I buy p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate?
You can request a quote for p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.