5-Tert-butyl-2,3-dimethylbenzenesulfonic acid
TL;DR: 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid (CAS 742007-73-4) is a chemical compound with molecular formula C12H18O3S and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2,3-dimethylbenzenesulfonic acid
Also Known As: 5-tert-butyl-2,3-dimethylbenzenesulfonic acid, AQ-390/43238236, 5-tert-Butyl-2,3-dimethyl-benzenesulfonic acid, 5-tert-butyl-2,3-dimethylbenzene-1-sulfonic acid
| Molecular Formula | C12H18O3S |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | 2.84764 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.09767 |
| Heavy Atoms | 16 |
| Complexity | 507.80078 |
Chemical Identifiers
| CAS Number | 742007-73-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)S(=O)(=O)O)C(C)(C)C |
Product Overview
5-Tert-butyl-2,3-dimethylbenzenesulfonic acid (CAS 742007-73-4), with molecular formula C12H18O3S and molecular weight 242.10 g/mol. IUPAC: 5-tert-butyl-2,3-dimethylbenzenesulfonic acid.
Chemical Property Profile of 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid
Property Insights of 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid
The XLogP value of 2.84764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid has 1 hydrogen bond donor(s) and 2 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-2,3-dimethylbenzenesulfonic acid?
The CAS number of 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid is 742007-73-4.
What is the molecular formula of 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid?
The molecular formula of 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid is C12H18O3S.
What is the molecular weight of 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid?
The molecular weight of 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid is 242.10 g/mol.
Where can I buy 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid?
You can request a quote for 5-Tert-butyl-2,3-dimethylbenzenesulfonic 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-2,3-dimethylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-2,3-dimethylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.