5-(tert-Butyl)-2-hydroxybenzenesulfonic acid
TL;DR: 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid (CAS 69103-69-1) is a chemical compound with molecular formula C10H14O4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-hydroxybenzenesulfonic acid
Also Known As: 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid, 5-tert-butyl-2-hydroxybenzenesulfonic acid
| Molecular Formula | C10H14O4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06128 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 69103-69-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)O |
| InChIKey | YYHSDVAWPMVJOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(tert-Butyl)-2-hydroxybenzenesulfonic acid (CAS 69103-69-1), with molecular formula C10H14O4S and molecular weight 230.06 g/mol. IUPAC: 5-tert-butyl-2-hydroxybenzenesulfonic acid.
Chemical Property Profile of 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid
Property Insights of 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid. Following Lipinski's Rule of Five, 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid has 2 hydrogen bond donor(s) and 4 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 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid?
The CAS number of 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid is 69103-69-1.
What is the molecular formula of 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid?
The molecular formula of 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid is C10H14O4S.
What is the molecular weight of 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid?
The molecular weight of 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid is 230.06 g/mol.
Where can I buy 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid?
You can request a quote for 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(tert-Butyl)-2-hydroxybenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.