Epithienamycin E
TL;DR: Epithienamycin E (CAS 79057-46-8) is a chemical compound with molecular formula C13H16N2O8S2 and molecular weight 392.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-acetamidoethenylsulfanyl)-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Epithienamycin E, 3-(2-acetamidoethenylsulfanyl)-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
| Molecular Formula | C13H16N2O8S2 |
|---|---|
| Molecular Weight | 392.03 g/mol |
| LogP | 0.0617 |
| Topological Polar Surface Area | 150.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.03482 |
| Heavy Atoms | 25 |
| Complexity | 772.8985 |
Chemical Identifiers
| CAS Number | 79057-46-8 |
|---|---|
| SMILES | CC(C1C2CC(=C(N2C1=O)C(=O)O)SC=CNC(=O)C)OS(=O)(=O)O |
Product Overview
Epithienamycin E (CAS 79057-46-8), with molecular formula C13H16N2O8S2 and molecular weight 392.03 g/mol. IUPAC: 3-(2-acetamidoethenylsulfanyl)-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of Epithienamycin E
Property Insights of Epithienamycin E
The XLogP value of 0.0617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epithienamycin E. The TPSA of 150.31 Ų indicates high polarity, suggesting Epithienamycin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epithienamycin E 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 Epithienamycin E?
The CAS number of Epithienamycin E is 79057-46-8.
What is the molecular formula of Epithienamycin E?
The molecular formula of Epithienamycin E is C13H16N2O8S2.
What is the molecular weight of Epithienamycin E?
The molecular weight of Epithienamycin E is 392.03 g/mol.
Where can I buy Epithienamycin E?
You can request a quote for Epithienamycin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epithienamycin E?
Yes, KEHONG BIO provides custom synthesis services for Epithienamycin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.