6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid
TL;DR: 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid (CAS 5324-63-0) is a chemical compound with molecular formula C11H20O7S and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-5-ethoxycarbonyl-6-oxohexane-1-sulfonic acid
Also Known As: Tris-p-tolylmercapto-aethen, 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid, 6-ethoxy-5-ethoxycarbonyl-6-oxohexane-1-sulfonic acid, 6-ethoxy-5-ethoxycarbonyl-6-oxo-hexane-1-sulfonic acid, 6-ETHOXY-5-(ETHOXYCARBONYL)-6-OXOHEXANE-1-SULFONIC ACID
| Molecular Formula | C11H20O7S |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 296.093 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 5324-63-0 |
|---|---|
| SMILES | CCOC(=O)C(CCCCS(=O)(=O)O)C(=O)OCC |
| InChIKey | GSMHUXDUEVHXNG-UHFFFAOYSA-N |
Product Overview
6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid (CAS 5324-63-0), with molecular formula C11H20O7S and molecular weight 296.09 g/mol. IUPAC: 6-ethoxy-5-ethoxycarbonyl-6-oxohexane-1-sulfonic acid.
Chemical Property Profile of 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid
Property Insights of 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid. Following Lipinski's Rule of Five, 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid has 1 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 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid?
The CAS number of 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid is 5324-63-0.
What is the molecular formula of 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid?
The molecular formula of 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid is C11H20O7S.
What is the molecular weight of 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid?
The molecular weight of 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid is 296.09 g/mol.
Where can I buy 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid?
You can request a quote for 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethoxy-5-(ethoxycarbonyl)-6-oxo-1-hexanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.