2-Amino-4,5-dimethylbenzenesulfonic acid
TL;DR: 2-Amino-4,5-dimethylbenzenesulfonic acid (CAS 56375-83-8) 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.
2-amino-4,5-dimethylbenzenesulfonic acid
Also Known As: 2-amino-4,5-dimethylbenzenesulfonic acid, 3,4-DIMETHYLANILINE-6-SULFONIC ACID, 5-Amino-o-xylene-4-sulphonic acid, 3,4-Dimethylaniline-6-sulfonicacid, 2-amino-4,5-dimethylbenzene-1-sulfonic acid
| Molecular Formula | C8H11NO3S |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 1.3 |
| 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 | 270.0 |
Chemical Identifiers
| CAS Number | 56375-83-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)S(=O)(=O)O)N |
| InChIKey | XROQUIUUGKYCQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4,5-dimethylbenzenesulfonic acid (CAS 56375-83-8), with molecular formula C8H11NO3S and molecular weight 201.05 g/mol. IUPAC: 2-amino-4,5-dimethylbenzenesulfonic acid.
Chemical Property Profile of 2-Amino-4,5-dimethylbenzenesulfonic acid
Property Insights of 2-Amino-4,5-dimethylbenzenesulfonic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4,5-dimethylbenzenesulfonic acid. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,5-dimethylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2-Amino-4,5-dimethylbenzenesulfonic 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 2-Amino-4,5-dimethylbenzenesulfonic acid?
The CAS number of 2-Amino-4,5-dimethylbenzenesulfonic acid is 56375-83-8.
What is the molecular formula of 2-Amino-4,5-dimethylbenzenesulfonic acid?
The molecular formula of 2-Amino-4,5-dimethylbenzenesulfonic acid is C8H11NO3S.
What is the molecular weight of 2-Amino-4,5-dimethylbenzenesulfonic acid?
The molecular weight of 2-Amino-4,5-dimethylbenzenesulfonic acid is 201.05 g/mol.
Where can I buy 2-Amino-4,5-dimethylbenzenesulfonic acid?
You can request a quote for 2-Amino-4,5-dimethylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4,5-dimethylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,5-dimethylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.