Cefaclor Impurity 58
TL;DR: Cefaclor Impurity 58 (CAS 5531-99-7) 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 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Cefaclor Impurity 58, 4-nitrobenzyl 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, (4-nitrophenyl)methyl 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 | 1.2 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.01862 |
| Heavy Atoms | 24 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 5531-99-7 |
|---|---|
| SMILES | C1C(=C(N2C(S1)C(C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | YLIOIMWNSIRKDG-UHFFFAOYSA-N |
Product Overview
Cefaclor Impurity 58 (CAS 5531-99-7), with molecular formula C14H12ClN3O5S and molecular weight 369.02 g/mol. IUPAC: (4-nitrophenyl)methyl 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of Cefaclor Impurity 58
Property Insights of Cefaclor Impurity 58
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cefaclor Impurity 58. The TPSA of 144.0 Ų indicates high polarity, suggesting Cefaclor Impurity 58 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cefaclor Impurity 58 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 Cefaclor Impurity 58?
The CAS number of Cefaclor Impurity 58 is 5531-99-7.
What is the molecular formula of Cefaclor Impurity 58?
The molecular formula of Cefaclor Impurity 58 is C14H12ClN3O5S.
What is the molecular weight of Cefaclor Impurity 58?
The molecular weight of Cefaclor Impurity 58 is 369.02 g/mol.
Where can I buy Cefaclor Impurity 58?
You can request a quote for Cefaclor Impurity 58 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cefaclor Impurity 58?
Yes, KEHONG BIO provides custom synthesis services for Cefaclor Impurity 58 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.