Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-
TL;DR: Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)- (CAS 68959-11-5) is a chemical compound with molecular formula C14H22O4S and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid
Also Known As: p-Isooctylphenol-2-sulfonic acid, 2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid, Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-, 2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzene-1-sulfonic acid, 2-Hydroxy-5-(1,1,3,3-tetramethylbutyl)benzenesulfonic acid
| Molecular Formula | C14H22O4S |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.12387 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 68959-11-5 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)O |
| InChIKey | LSAIQLOHXQZJCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)- (CAS 68959-11-5), with molecular formula C14H22O4S and molecular weight 286.12 g/mol. IUPAC: 2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-
Property Insights of Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-
The XLogP value of 4.3 indicates that Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)- 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 Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-?
The CAS number of Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)- is 68959-11-5.
What is the molecular formula of Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-?
The molecular formula of Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)- is C14H22O4S.
What is the molecular weight of Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-?
The molecular weight of Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)- is 286.12 g/mol.
Where can I buy Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-?
You can request a quote for Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.