7-氨基头孢烷酸
TL;DR: 7-氨基头孢烷酸 (CAS 957-68-6) is a chemical compound with molecular formula C10H12N2O5S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-氨基头孢烷酸
3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-Aminocephalosporanic acid, 7-ACA, 3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, BAS 05307735, J1.103.171D
| Molecular Formula | C10H12N2O5S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0467 |
| Heavy Atoms | 18 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 957-68-6 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O |
| InChIKey | HSHGZXNAXBPPDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-氨基头孢烷酸 (CAS 957-68-6), with molecular formula C10H12N2O5S and molecular weight 272.05 g/mol. IUPAC: 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 7-氨基头孢烷酸
Property Insights of 7-氨基头孢烷酸
The XLogP value of -4.0 indicates that 7-氨基头孢烷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-氨基头孢烷酸. Following Lipinski's Rule of Five, 7-氨基头孢烷酸 has 2 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 7-氨基头孢烷酸?
The CAS number of 7-氨基头孢烷酸 is 957-68-6.
What is the molecular formula of 7-氨基头孢烷酸?
The molecular formula of 7-氨基头孢烷酸 is C10H12N2O5S.
What is the molecular weight of 7-氨基头孢烷酸?
The molecular weight of 7-氨基头孢烷酸 is 272.05 g/mol.
Where can I buy 7-氨基头孢烷酸?
You can request a quote for 7-氨基头孢烷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-氨基头孢烷酸?
Yes, KEHONG BIO provides custom synthesis services for 7-氨基头孢烷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.