头孢拉定
TL;DR: 头孢拉定 (CAS 38821-53-3) is a chemical compound with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢拉定
7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cephradine, Cefradine, Cefradin, Sefril, (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C16H19N3O4S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.10962 |
| Heavy Atoms | 24 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 38821-53-3 |
|---|---|
| SMILES | CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O |
| InChIKey | RDLPVSKMFDYCOR-UHFFFAOYSA-N |
Product Overview
头孢拉定 (CAS 38821-53-3), with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol. IUPAC: 7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢拉定
Property Insights of 头孢拉定
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢拉定. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 头孢拉定. Following Lipinski's Rule of Five, 头孢拉定 has 3 hydrogen bond donor(s) and 6 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 头孢拉定?
The CAS number of 头孢拉定 is 38821-53-3.
What is the molecular formula of 头孢拉定?
The molecular formula of 头孢拉定 is C16H19N3O4S.
What is the molecular weight of 头孢拉定?
The molecular weight of 头孢拉定 is 349.11 g/mol.
Where can I buy 头孢拉定?
You can request a quote for 头孢拉定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢拉定?
Yes, KEHONG BIO provides custom synthesis services for 头孢拉定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.