4-Amino-3,5-dimethylbenzene-1-sulfonic acid
TL;DR: 4-Amino-3,5-dimethylbenzene-1-sulfonic acid (CAS 23697-71-4) is a chemical compound with molecular formula C8H11NO3S and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3,5-dimethylbenzenesulfonic acid
Also Known As: 4-amino-3,5-dimethylbenzenesulfonic acid, 2,6-dimethylaniline-4-sulfonic acid, 2,6-dimethyl-4-sulfonic acid, 4-Amino-3,5-dimethylbenzene-1-sulfonic acid, Benzenesulfonic acid,4-amino-3,5-dimethyl-
| Molecular Formula | C8H11NO3S |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.04596 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 23697-71-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)C)S(=O)(=O)O |
| InChIKey | KOUGFWUPYWULKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3,5-dimethylbenzene-1-sulfonic acid (CAS 23697-71-4), with molecular formula C8H11NO3S and molecular weight 201.05 g/mol. IUPAC: 4-amino-3,5-dimethylbenzenesulfonic acid.
Chemical Property Profile of 4-Amino-3,5-dimethylbenzene-1-sulfonic acid
Property Insights of 4-Amino-3,5-dimethylbenzene-1-sulfonic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3,5-dimethylbenzene-1-sulfonic acid. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3,5-dimethylbenzene-1-sulfonic acid. Following Lipinski's Rule of Five, 4-Amino-3,5-dimethylbenzene-1-sulfonic 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 4-Amino-3,5-dimethylbenzene-1-sulfonic acid?
The CAS number of 4-Amino-3,5-dimethylbenzene-1-sulfonic acid is 23697-71-4.
What is the molecular formula of 4-Amino-3,5-dimethylbenzene-1-sulfonic acid?
The molecular formula of 4-Amino-3,5-dimethylbenzene-1-sulfonic acid is C8H11NO3S.
What is the molecular weight of 4-Amino-3,5-dimethylbenzene-1-sulfonic acid?
The molecular weight of 4-Amino-3,5-dimethylbenzene-1-sulfonic acid is 201.05 g/mol.
Where can I buy 4-Amino-3,5-dimethylbenzene-1-sulfonic acid?
You can request a quote for 4-Amino-3,5-dimethylbenzene-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3,5-dimethylbenzene-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-dimethylbenzene-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.