Cephalosporin 7/30
TL;DR: Cephalosporin 7/30 (CAS 987-69-9) is a chemical compound with molecular formula C20H23N3O4S4 and molecular weight 497.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[(2-benzylsulfanylacetyl)amino]-3-(dimethylcarbamothioylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cephalosporin 7/30, (6R-trans)-3-((((Dimethylamino)thioxomethyl)thio)methyl)-8-oxo-7-((((phenylmethyl)thio)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-7-[(2-benzylsulfanylacetyl)amino]-3-(dimethylcarbamothioylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6r,7r)-7-{[(benzylsulfanyl)acetyl]amino}-3-{[(dimethylcarbamothioyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-{[2-(Benzylsulfanyl)-1-hydroxyethylidene]amino}-3-{[(dimethylcarbamothioyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C20H23N3O4S4 |
|---|---|
| Molecular Weight | 497.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.05713 |
| Heavy Atoms | 31 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 987-69-9 |
|---|---|
| SMILES | CN(C)C(=S)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSCC3=CC=CC=C3)SC1)C(=O)O |
| InChIKey | AMHZVJJYDORHJA-CRAIPNDOSA-N |
Product Overview
Cephalosporin 7/30 (CAS 987-69-9), with molecular formula C20H23N3O4S4 and molecular weight 497.06 g/mol. IUPAC: (6R,7R)-7-[(2-benzylsulfanylacetyl)amino]-3-(dimethylcarbamothioylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cephalosporin 7/30
Property Insights of Cephalosporin 7/30
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cephalosporin 7/30. The TPSA of 198.0 Ų indicates high polarity, suggesting Cephalosporin 7/30 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephalosporin 7/30 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 7/30?
The CAS number of Cephalosporin 7/30 is 987-69-9.
What is the molecular formula of Cephalosporin 7/30?
The molecular formula of Cephalosporin 7/30 is C20H23N3O4S4.
What is the molecular weight of Cephalosporin 7/30?
The molecular weight of Cephalosporin 7/30 is 497.06 g/mol.
Where can I buy Cephalosporin 7/30?
You can request a quote for Cephalosporin 7/30 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephalosporin 7/30?
Yes, KEHONG BIO provides custom synthesis services for Cephalosporin 7/30 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.