Cephalosporin 7/1
TL;DR: Cephalosporin 7/1 (CAS 32449-61-9) is a chemical compound with molecular formula C19H20N2O6S2 and molecular weight 436.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-[(2-benzylsulfanylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cephalosporin 7/1, KST-1A3803, A-(2-benzylsulfanyl-acetylamino)-cephalosporanic acid, (6R,7R)-3-[(acetyloxy)methyl]-7-[2-(benzylsulfanyl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6r,7r)-3-[(acetyloxy)methyl]-7-{[(benzylsulfanyl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C19H20N2O6S2 |
|---|---|
| Molecular Weight | 436.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 436.0763 |
| Heavy Atoms | 29 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 32449-61-9 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSCC3=CC=CC=C3)SC1)C(=O)O |
| InChIKey | SRTZNSJXPVHBRN-CRAIPNDOSA-N |
Product Overview
Cephalosporin 7/1 (CAS 32449-61-9), with molecular formula C19H20N2O6S2 and molecular weight 436.08 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-[(2-benzylsulfanylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cephalosporin 7/1
Property Insights of Cephalosporin 7/1
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cephalosporin 7/1. The TPSA of 164.0 Ų indicates high polarity, suggesting Cephalosporin 7/1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephalosporin 7/1 has 2 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 Cephalosporin 7/1?
The CAS number of Cephalosporin 7/1 is 32449-61-9.
What is the molecular formula of Cephalosporin 7/1?
The molecular formula of Cephalosporin 7/1 is C19H20N2O6S2.
What is the molecular weight of Cephalosporin 7/1?
The molecular weight of Cephalosporin 7/1 is 436.08 g/mol.
Where can I buy Cephalosporin 7/1?
You can request a quote for Cephalosporin 7/1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephalosporin 7/1?
Yes, KEHONG BIO provides custom synthesis services for Cephalosporin 7/1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.