2-(Methylamino)-5-nitrobenzoic acid
TL;DR: 2-(Methylamino)-5-nitrobenzoic acid (CAS 3484-33-1) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)-5-nitrobenzoic acid
Also Known As: 2-(methylamino)-5-nitrobenzoic acid, Benzoic acid,2-(methylamino)-5-nitro-, 2- -5-NITROBENZOICACID, 2-methylamino-5-nitrobenzoic acid, 5-nitro-N-methyl-anthranilic acid
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 3484-33-1 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | FAVDVRYGVZMEFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylamino)-5-nitrobenzoic acid (CAS 3484-33-1), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 2-(methylamino)-5-nitrobenzoic acid.
Chemical Property Profile of 2-(Methylamino)-5-nitrobenzoic acid
Property Insights of 2-(Methylamino)-5-nitrobenzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylamino)-5-nitrobenzoic acid. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylamino)-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-(Methylamino)-5-nitrobenzoic acid has 2 hydrogen bond donor(s) and 5 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-nitrobenzoic acid?
The CAS number of 2-(Methylamino)-5-nitrobenzoic acid is 3484-33-1.
What is the molecular formula of 2-(Methylamino)-5-nitrobenzoic acid?
The molecular formula of 2-(Methylamino)-5-nitrobenzoic acid is C8H8N2O4.
What is the molecular weight of 2-(Methylamino)-5-nitrobenzoic acid?
The molecular weight of 2-(Methylamino)-5-nitrobenzoic acid is 196.05 g/mol.
Where can I buy 2-(Methylamino)-5-nitrobenzoic acid?
You can request a quote for 2-(Methylamino)-5-nitrobenzoic 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-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.