2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate
TL;DR: 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate (CAS 91685-69-7) is a chemical compound with molecular formula C8H9NO4S and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6R)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: 2-Fthpc, 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate, (5R,6R)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, (5R-(5alpha,6alpha(R*)))-6-(1-Hydroxyethyl)-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-Hydroxyethyl)-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid (5R-(5alpha,6alpha(R*)))-
| Molecular Formula | C8H9NO4S |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.02522 |
| Heavy Atoms | 14 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 91685-69-7 |
|---|---|
| SMILES | C[C@H]([C@H]1[C@@H]2N(C1=O)C(=CS2)C(=O)O)O |
| InChIKey | IYPZTSDEYRDCBO-HGWBJXFBSA-N |
Product Overview
2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate (CAS 91685-69-7), with molecular formula C8H9NO4S and molecular weight 215.03 g/mol. IUPAC: (5R,6R)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate
Property Insights of 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate. Following Lipinski's Rule of Five, 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate has 2 hydrogen bond donor(s) and 5 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 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate?
The CAS number of 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate is 91685-69-7.
What is the molecular formula of 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate?
The molecular formula of 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate is C8H9NO4S.
What is the molecular weight of 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate?
The molecular weight of 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate is 215.03 g/mol.
Where can I buy 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate?
You can request a quote for 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Fluoroethylthio)-6-(1-hydroxyethyl)penem-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.