4-tert-Butylbenzenesulfonic acid
TL;DR: 4-tert-Butylbenzenesulfonic acid (CAS 1133-17-1) 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-tert-butylbenzenesulfonic acid
Also Known As: 4-TERT-BUTYLBENZENESULFONIC ACID, 4-(tert-Butyl)benzenesulfonic Acid, 4-tert-butylbenzene-1-sulfonic acid, tert-Butylbenzene-4-sulphonic acid, 4-tert-Butyl-benzenesulfonic acid
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 1133-17-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | LZQMCUIWYRQLOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butylbenzenesulfonic acid (CAS 1133-17-1), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: 4-tert-butylbenzenesulfonic acid.
Chemical Property Profile of 4-tert-Butylbenzenesulfonic acid
Property Insights of 4-tert-Butylbenzenesulfonic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butylbenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butylbenzenesulfonic acid. Following Lipinski's Rule of Five, 4-tert-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-tert-Butylbenzenesulfonic acid?
The CAS number of 4-tert-Butylbenzenesulfonic acid is 1133-17-1.
What is the molecular formula of 4-tert-Butylbenzenesulfonic acid?
The molecular formula of 4-tert-Butylbenzenesulfonic acid is C10H14O3S.
What is the molecular weight of 4-tert-Butylbenzenesulfonic acid?
The molecular weight of 4-tert-Butylbenzenesulfonic acid is 214.07 g/mol.
Where can I buy 4-tert-Butylbenzenesulfonic acid?
You can request a quote for 4-tert-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-tert-Butylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.