4-Ethylbenzenesulfonic acid
TL;DR: 4-Ethylbenzenesulfonic acid (CAS 98-69-1) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylbenzenesulfonic acid
Also Known As: 4-ETHYLBENZENESULFONIC ACID, p-Ethylbenzenesulfonic acid, Phenylethane-p-sulfonate, 4-Ethylbenzenesulfonicacid, Benzenesulfonic acid, 4-ethyl-
| Molecular Formula | C8H10O3S |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.03506 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 98-69-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | BRIXOPDYGQCZFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethylbenzenesulfonic acid (CAS 98-69-1), with molecular formula C8H10O3S and molecular weight 186.04 g/mol. IUPAC: 4-ethylbenzenesulfonic acid.
Chemical Property Profile of 4-Ethylbenzenesulfonic acid
Property Insights of 4-Ethylbenzenesulfonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylbenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethylbenzenesulfonic acid. Following Lipinski's Rule of Five, 4-Ethylbenzenesulfonic 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 4-Ethylbenzenesulfonic acid?
The CAS number of 4-Ethylbenzenesulfonic acid is 98-69-1.
What is the molecular formula of 4-Ethylbenzenesulfonic acid?
The molecular formula of 4-Ethylbenzenesulfonic acid is C8H10O3S.
What is the molecular weight of 4-Ethylbenzenesulfonic acid?
The molecular weight of 4-Ethylbenzenesulfonic acid is 186.04 g/mol.
Where can I buy 4-Ethylbenzenesulfonic acid?
You can request a quote for 4-Ethylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.