2-Amino-5-methylbenzenesulfonic acid
TL;DR: 2-Amino-5-methylbenzenesulfonic acid (CAS 88-44-8) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-methylbenzenesulfonic acid
Also Known As: 4-Aminotoluene-3-sulfonic acid, 2-Amino-5-methylbenzenesulfonic acid, Ptmsptmsa, PTMSA, Red 4B acid
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.03032 |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 88-44-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N)S(=O)(=O)O |
| InChIKey | LTPSRQRIPCVMKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-5-methylbenzenesulfonic acid (CAS 88-44-8), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: 2-amino-5-methylbenzenesulfonic acid.
Chemical Property Profile of 2-Amino-5-methylbenzenesulfonic acid
Property Insights of 2-Amino-5-methylbenzenesulfonic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-methylbenzenesulfonic acid. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-methylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2-Amino-5-methylbenzenesulfonic 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-5-methylbenzenesulfonic acid?
The CAS number of 2-Amino-5-methylbenzenesulfonic acid is 88-44-8.
What is the molecular formula of 2-Amino-5-methylbenzenesulfonic acid?
The molecular formula of 2-Amino-5-methylbenzenesulfonic acid is C7H9NO3S.
What is the molecular weight of 2-Amino-5-methylbenzenesulfonic acid?
The molecular weight of 2-Amino-5-methylbenzenesulfonic acid is 187.03 g/mol.
Where can I buy 2-Amino-5-methylbenzenesulfonic acid?
You can request a quote for 2-Amino-5-methylbenzenesulfonic 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-5-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.