Pivcephalexin
TL;DR: Pivcephalexin (CAS 27726-31-4) is a chemical compound with molecular formula C22H28ClN3O6S and molecular weight 497.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
Also Known As: Pivcephalexin, Sigmacef, Pivcefalexin hydrochloride, Pivcefalexina [Spanish], Pivcephalexin hydrochloride
| Molecular Formula | C22H28ClN3O6S |
|---|---|
| Molecular Weight | 497.14 g/mol |
| LogP | 1.8721 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.13873 |
| Heavy Atoms | 33 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 27726-31-4 |
|---|---|
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl |
| InChIKey | SGRIOOASEBLTKK-GNYIYVNYSA-N |
Product Overview
Pivcephalexin (CAS 27726-31-4), with molecular formula C22H28ClN3O6S and molecular weight 497.14 g/mol. IUPAC: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride.
Chemical Property Profile of Pivcephalexin
Property Insights of Pivcephalexin
The XLogP value of 1.8721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pivcephalexin. The TPSA of 153.0 Ų indicates high polarity, suggesting Pivcephalexin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pivcephalexin has 3 hydrogen bond donor(s) and 8 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 Pivcephalexin?
The CAS number of Pivcephalexin is 27726-31-4.
What is the molecular formula of Pivcephalexin?
The molecular formula of Pivcephalexin is C22H28ClN3O6S.
What is the molecular weight of Pivcephalexin?
The molecular weight of Pivcephalexin is 497.14 g/mol.
Where can I buy Pivcephalexin?
You can request a quote for Pivcephalexin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivcephalexin?
Yes, KEHONG BIO provides custom synthesis services for Pivcephalexin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.