(4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester
TL;DR: (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester (CAS 39007-00-6) is a chemical compound with molecular formula C20H22O8S and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]sulfonylphenoxy]acetate
Also Known As: diethyl 2,2'-[sulfonylbis(benzene-4,1-diyloxy)]diacetate, (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester, Diethyl 2,2'-((sulfonylbis(4,1-phenylene))bis(oxy))diacetate, diethyl 2,2'-[sulfonylbis(4,1-phenyleneoxy)]diacetate, ethyl 2-[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]sulfonylphenoxy]acetate
| Molecular Formula | C20H22O8S |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 422.10355 |
| Heavy Atoms | 29 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 39007-00-6 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)OCC |
| InChIKey | SFQDUATXFZWGHZ-UHFFFAOYSA-N |
Product Overview
(4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester (CAS 39007-00-6), with molecular formula C20H22O8S and molecular weight 422.10 g/mol. IUPAC: ethyl 2-[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]sulfonylphenoxy]acetate.
Chemical Property Profile of (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester
Property Insights of (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester
The XLogP value of 3.2 indicates that (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester. Following Lipinski's Rule of Five, (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)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 (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester?
The CAS number of (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester is 39007-00-6.
What is the molecular formula of (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester?
The molecular formula of (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester is C20H22O8S.
What is the molecular weight of (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester?
The molecular weight of (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester is 422.10 g/mol.
Where can I buy (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester?
You can request a quote for (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)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 (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-(4-Ethoxycarbonylmethoxybenzenesulfonyl)phenoxy)acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.