Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester
TL;DR: Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester (CAS 27230-18-8) is a chemical compound with molecular formula C9H16O8S2 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-ethoxy-2-oxoethyl)sulfonylmethylsulfonyl]acetate
Also Known As: BAS 00538231, Diethyl 2,2'-(methylenedisulfonyl)diacetate, Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester, ethyl 2-[(2-ethoxy-2-oxoethyl)sulfonylmethylsulfonyl]acetate, ethyl 2-({[(2-ethoxy-2-oxoethane)sulfonyl]methane}sulfonyl)acetate
| Molecular Formula | C9H16O8S2 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 316.02866 |
| Heavy Atoms | 19 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 27230-18-8 |
|---|---|
| SMILES | CCOC(=O)CS(=O)(=O)CS(=O)(=O)CC(=O)OCC |
| InChIKey | NGFWBJGIKDEXAF-UHFFFAOYSA-N |
Product Overview
Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester (CAS 27230-18-8), with molecular formula C9H16O8S2 and molecular weight 316.03 g/mol. IUPAC: ethyl 2-[(2-ethoxy-2-oxoethyl)sulfonylmethylsulfonyl]acetate.
Chemical Property Profile of Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester
Property Insights of Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester
The XLogP value of -0.4 indicates that Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester. Following Lipinski's Rule of Five, Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester has 0 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 Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester?
The CAS number of Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester is 27230-18-8.
What is the molecular formula of Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester?
The molecular formula of Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester is C9H16O8S2.
What is the molecular weight of Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester?
The molecular weight of Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester is 316.03 g/mol.
Where can I buy Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester?
You can request a quote for Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethoxycarbonylmethanesulfonylmethanesulfonyl-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.