4-Amino-3-methyl-5-nitrobenzoic acid
TL;DR: 4-Amino-3-methyl-5-nitrobenzoic acid (CAS 37901-94-3) 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.
4-amino-3-methyl-5-nitrobenzoic acid
Also Known As: 4-amino-3-methyl-5-nitrobenzoic acid, 4-amino-3-methyl-5-nitro-benzoic acid, 4-Amino-5-nitro-m-toluic acid, 4-amino-3-methyl-5-nitrobenzoicacid, Benzoic acid, 4-amino-3-methyl-5-nitro-
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 37901-94-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)[N+](=O)[O-])C(=O)O |
| InChIKey | QTGYCJNEAUXQNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3-methyl-5-nitrobenzoic acid (CAS 37901-94-3), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 4-amino-3-methyl-5-nitrobenzoic acid.
Chemical Property Profile of 4-Amino-3-methyl-5-nitrobenzoic acid
Property Insights of 4-Amino-3-methyl-5-nitrobenzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-methyl-5-nitrobenzoic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-methyl-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Amino-3-methyl-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 4-Amino-3-methyl-5-nitrobenzoic acid?
The CAS number of 4-Amino-3-methyl-5-nitrobenzoic acid is 37901-94-3.
What is the molecular formula of 4-Amino-3-methyl-5-nitrobenzoic acid?
The molecular formula of 4-Amino-3-methyl-5-nitrobenzoic acid is C8H8N2O4.
What is the molecular weight of 4-Amino-3-methyl-5-nitrobenzoic acid?
The molecular weight of 4-Amino-3-methyl-5-nitrobenzoic acid is 196.05 g/mol.
Where can I buy 4-Amino-3-methyl-5-nitrobenzoic acid?
You can request a quote for 4-Amino-3-methyl-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 4-Amino-3-methyl-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-methyl-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.