2-(Methylamino)toluene-4-sulphonic acid
TL;DR: 2-(Methylamino)toluene-4-sulphonic acid (CAS 14338-01-3) 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-methyl-3-(methylamino)benzenesulfonic acid
Also Known As: 2-(Methylamino)toluene-4-sulphonic acid, 4-methyl-3-(methylamino)benzenesulfonic acid, N,4-DIMETHYLMETANILIC ACID, 2-(METHYLAMINO)TOLUENE-4-SULFONIC ACID, N,4-DIMETHYLMETANILIC ACID, TECH.
| Molecular Formula | C8H11NO3S |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.04596 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 14338-01-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)O)NC |
| InChIKey | JGRPAFZFWIYCMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylamino)toluene-4-sulphonic acid (CAS 14338-01-3), with molecular formula C8H11NO3S and molecular weight 201.05 g/mol. IUPAC: 4-methyl-3-(methylamino)benzenesulfonic acid.
Chemical Property Profile of 2-(Methylamino)toluene-4-sulphonic acid
Property Insights of 2-(Methylamino)toluene-4-sulphonic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylamino)toluene-4-sulphonic acid. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylamino)toluene-4-sulphonic acid. Following Lipinski's Rule of Five, 2-(Methylamino)toluene-4-sulphonic 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-(Methylamino)toluene-4-sulphonic acid?
The CAS number of 2-(Methylamino)toluene-4-sulphonic acid is 14338-01-3.
What is the molecular formula of 2-(Methylamino)toluene-4-sulphonic acid?
The molecular formula of 2-(Methylamino)toluene-4-sulphonic acid is C8H11NO3S.
What is the molecular weight of 2-(Methylamino)toluene-4-sulphonic acid?
The molecular weight of 2-(Methylamino)toluene-4-sulphonic acid is 201.05 g/mol.
Where can I buy 2-(Methylamino)toluene-4-sulphonic acid?
You can request a quote for 2-(Methylamino)toluene-4-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylamino)toluene-4-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)toluene-4-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.