Benzenesulfonic acid, 3-amino-4-methyl-
TL;DR: Benzenesulfonic acid, 3-amino-4-methyl- (CAS 618-03-1) 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.
3-amino-4-methylbenzenesulfonic acid
Also Known As: 3-Amino-4-methylbenzenesulfonic acid, 4-Methylmetanilic acid, 2-Aminotoluene-4-sulfonic acid, 4-Methylmetanilicacid, 3-Amino-p-toluenesulfonic acid
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | -0.4 |
| 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 | 618-03-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)O)N |
| InChIKey | DTNODBHGOLWROS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 3-amino-4-methyl- (CAS 618-03-1), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: 3-amino-4-methylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-amino-4-methyl-
Property Insights of Benzenesulfonic acid, 3-amino-4-methyl-
The XLogP value of -0.4 indicates that Benzenesulfonic acid, 3-amino-4-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-amino-4-methyl-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-amino-4-methyl- 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 Benzenesulfonic acid, 3-amino-4-methyl-?
The CAS number of Benzenesulfonic acid, 3-amino-4-methyl- is 618-03-1.
What is the molecular formula of Benzenesulfonic acid, 3-amino-4-methyl-?
The molecular formula of Benzenesulfonic acid, 3-amino-4-methyl- is C7H9NO3S.
What is the molecular weight of Benzenesulfonic acid, 3-amino-4-methyl-?
The molecular weight of Benzenesulfonic acid, 3-amino-4-methyl- is 187.03 g/mol.
Where can I buy Benzenesulfonic acid, 3-amino-4-methyl-?
You can request a quote for Benzenesulfonic acid, 3-amino-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3-amino-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-amino-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.