2-(Methylamino)-5-sulphobenzoic acid
TL;DR: 2-(Methylamino)-5-sulphobenzoic acid (CAS 89-42-9) is a chemical compound with molecular formula C8H9NO5S and molecular weight 231.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)-5-sulfobenzoic acid
Also Known As: 2-(methylamino)-5-sulfobenzoic acid, 2- -5-sulphobenzoicacid, 2-(Methylamino)-5-sulphobenzoic acid, N-Methyl-5-sulfoanthranilic acid, 2-(methylamino)-5-sulfobenzoesyre
| Molecular Formula | C8H9NO5S |
|---|---|
| Molecular Weight | 231.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.02014 |
| Heavy Atoms | 15 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 89-42-9 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O |
| InChIKey | JWNYMRVWULNVDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylamino)-5-sulphobenzoic acid (CAS 89-42-9), with molecular formula C8H9NO5S and molecular weight 231.02 g/mol. IUPAC: 2-(methylamino)-5-sulfobenzoic acid.
Chemical Property Profile of 2-(Methylamino)-5-sulphobenzoic acid
Property Insights of 2-(Methylamino)-5-sulphobenzoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylamino)-5-sulphobenzoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylamino)-5-sulphobenzoic acid. Following Lipinski's Rule of Five, 2-(Methylamino)-5-sulphobenzoic acid has 3 hydrogen bond donor(s) and 6 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)-5-sulphobenzoic acid?
The CAS number of 2-(Methylamino)-5-sulphobenzoic acid is 89-42-9.
What is the molecular formula of 2-(Methylamino)-5-sulphobenzoic acid?
The molecular formula of 2-(Methylamino)-5-sulphobenzoic acid is C8H9NO5S.
What is the molecular weight of 2-(Methylamino)-5-sulphobenzoic acid?
The molecular weight of 2-(Methylamino)-5-sulphobenzoic acid is 231.02 g/mol.
Where can I buy 2-(Methylamino)-5-sulphobenzoic acid?
You can request a quote for 2-(Methylamino)-5-sulphobenzoic 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)-5-sulphobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)-5-sulphobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.