头孢沙定
TL;DR: 头孢沙定 (CAS 51762-05-1) is a chemical compound with molecular formula C16H19N3O5S and molecular weight 365.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢沙定
7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cefroxadine, 7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(amino-1,4-cyclohexadien-1-ylacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[2-Amino(cyclohexa-1,4-dien-1-yl)acetamido]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C16H19N3O5S |
|---|---|
| Molecular Weight | 365.10 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.10455 |
| Heavy Atoms | 25 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 51762-05-1 |
|---|---|
| SMILES | COC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O |
| InChIKey | RDMOROXKXONCAL-UHFFFAOYSA-N |
Product Overview
头孢沙定 (CAS 51762-05-1), with molecular formula C16H19N3O5S and molecular weight 365.10 g/mol. IUPAC: 7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢沙定
Property Insights of 头孢沙定
The XLogP value of -2.3 indicates that 头孢沙定 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting 头孢沙定 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢沙定 has 3 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 头孢沙定?
The CAS number of 头孢沙定 is 51762-05-1.
What is the molecular formula of 头孢沙定?
The molecular formula of 头孢沙定 is C16H19N3O5S.
What is the molecular weight of 头孢沙定?
The molecular weight of 头孢沙定 is 365.10 g/mol.
Where can I buy 头孢沙定?
You can request a quote for 头孢沙定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢沙定?
Yes, KEHONG BIO provides custom synthesis services for 头孢沙定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.