2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid
TL;DR: 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid (CAS 379729-10-9) is a chemical compound with molecular formula C19H23NO4S and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]benzoic acid
Also Known As: 2-(5-tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid, 2-(5-tert-Butyl-2,3-dimethyl-benzenesulfonylamino)-benzoic acid, AQ-390/42130901, 2-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]benzoic acid, 2-(5-tert-butyl-2,3-dimethylbenzenesulfonamido)benzoicacid
| Molecular Formula | C19H23NO4S |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 4.09994 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.13477 |
| Heavy Atoms | 25 |
| Complexity | 924.92566 |
Chemical Identifiers
| CAS Number | 379729-10-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=O)O)C(C)(C)C |
Product Overview
2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid (CAS 379729-10-9), with molecular formula C19H23NO4S and molecular weight 361.13 g/mol. IUPAC: 2-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid
Property Insights of 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid
The XLogP value of 4.09994 indicates that 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid. Following Lipinski's Rule of Five, 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid has 2 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 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid?
The CAS number of 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid is 379729-10-9.
What is the molecular formula of 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid?
The molecular formula of 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid is C19H23NO4S.
What is the molecular weight of 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid?
The molecular weight of 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid is 361.13 g/mol.
Where can I buy 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid?
You can request a quote for 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Tert-butyl-2,3-dimethylbenzenesulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.