4-Butylbenzenesulfonic acid
TL;DR: 4-Butylbenzenesulfonic acid (CAS 18521-59-0) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butylbenzenesulfonic acid
Also Known As: 4-Butylbenzenesulfonic acid, 4-Butylbenzene-1-sulfonic acid, 4-n-butylbenzenesulfonic acid, 4-BUTYL BENZENESULFONIC ACID, J1.331.338E
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 18521-59-0 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | JNVFIMNBBVDEPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Butylbenzenesulfonic acid (CAS 18521-59-0), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: 4-butylbenzenesulfonic acid.
Chemical Property Profile of 4-Butylbenzenesulfonic acid
Property Insights of 4-Butylbenzenesulfonic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butylbenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butylbenzenesulfonic acid. Following Lipinski's Rule of Five, 4-Butylbenzenesulfonic 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-Butylbenzenesulfonic acid?
The CAS number of 4-Butylbenzenesulfonic acid is 18521-59-0.
What is the molecular formula of 4-Butylbenzenesulfonic acid?
The molecular formula of 4-Butylbenzenesulfonic acid is C10H14O3S.
What is the molecular weight of 4-Butylbenzenesulfonic acid?
The molecular weight of 4-Butylbenzenesulfonic acid is 214.07 g/mol.
Where can I buy 4-Butylbenzenesulfonic acid?
You can request a quote for 4-Butylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Butylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.