3-(4-Ethyl-benzenesulfonyl)-propionic acid
TL;DR: 3-(4-Ethyl-benzenesulfonyl)-propionic acid (CAS 200643-81-8) is a chemical compound with molecular formula C11H14O4S and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethylphenyl)sulfonylpropanoic acid
Also Known As: 3-(4-Ethyl-benzenesulfonyl)-propionic acid, 3-(4-ethylphenyl)sulfonylpropanoic acid, 3-(4-ethylbenzenesulfonyl)propanoic acid, ASN 13149898, 3-[(4-ethylphenyl)sulfonyl]propanoic acid
| Molecular Formula | C11H14O4S |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 1.4974 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.06128 |
| Heavy Atoms | 16 |
| Complexity | 459.26285 |
Chemical Identifiers
| CAS Number | 200643-81-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O |
Product Overview
3-(4-Ethyl-benzenesulfonyl)-propionic acid (CAS 200643-81-8), with molecular formula C11H14O4S and molecular weight 242.06 g/mol. IUPAC: 3-(4-ethylphenyl)sulfonylpropanoic acid.
Chemical Property Profile of 3-(4-Ethyl-benzenesulfonyl)-propionic acid
Property Insights of 3-(4-Ethyl-benzenesulfonyl)-propionic acid
The XLogP value of 1.4974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Ethyl-benzenesulfonyl)-propionic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Ethyl-benzenesulfonyl)-propionic acid. Following Lipinski's Rule of Five, 3-(4-Ethyl-benzenesulfonyl)-propionic acid has 1 hydrogen bond donor(s) and 3 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 3-(4-Ethyl-benzenesulfonyl)-propionic acid?
The CAS number of 3-(4-Ethyl-benzenesulfonyl)-propionic acid is 200643-81-8.
What is the molecular formula of 3-(4-Ethyl-benzenesulfonyl)-propionic acid?
The molecular formula of 3-(4-Ethyl-benzenesulfonyl)-propionic acid is C11H14O4S.
What is the molecular weight of 3-(4-Ethyl-benzenesulfonyl)-propionic acid?
The molecular weight of 3-(4-Ethyl-benzenesulfonyl)-propionic acid is 242.06 g/mol.
Where can I buy 3-(4-Ethyl-benzenesulfonyl)-propionic acid?
You can request a quote for 3-(4-Ethyl-benzenesulfonyl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Ethyl-benzenesulfonyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethyl-benzenesulfonyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.