Cephalexin dihydrate
TL;DR: Cephalexin dihydrate (CAS 66905-57-5) is a chemical compound with molecular formula C16H21N3O6S and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate
Also Known As: Cephalexin dihydrate, 7-[(2-Amino-1-hydroxy-2-phenylethylidene)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--water (1/2), (6R,7R)-7-[(2-Amino-1-hydroxy-2-phenylethylidene)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--water (1/2), (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
| Molecular Formula | C16H21N3O6S |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | -1.2045 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.1151 |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 66905-57-5 |
|---|---|
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O.O |
| InChIKey | BLRXAKRXENVHDN-HCCBYIMHSA-N |
Product Overview
Cephalexin dihydrate (CAS 66905-57-5), with molecular formula C16H21N3O6S and molecular weight 383.12 g/mol. IUPAC: (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate.
Chemical Property Profile of Cephalexin dihydrate
Property Insights of Cephalexin dihydrate
The XLogP value of -1.2045 indicates that Cephalexin dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting Cephalexin dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephalexin dihydrate has 5 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 Cephalexin dihydrate?
The CAS number of Cephalexin dihydrate is 66905-57-5.
What is the molecular formula of Cephalexin dihydrate?
The molecular formula of Cephalexin dihydrate is C16H21N3O6S.
What is the molecular weight of Cephalexin dihydrate?
The molecular weight of Cephalexin dihydrate is 383.12 g/mol.
Where can I buy Cephalexin dihydrate?
You can request a quote for Cephalexin dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephalexin dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Cephalexin dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.