3-Amino-4-methyl-2-nitrobenzoic acid
TL;DR: 3-Amino-4-methyl-2-nitrobenzoic acid (CAS 37901-90-9) 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.
3-amino-4-methyl-2-nitrobenzoic acid
Also Known As: 3-amino-4-methyl-2-nitrobenzoic acid, 2-Nitro-3-Amino-4-Methylbenzoic Acid, 3-amino-4-methyl-2-nitro-benzoic Acid, Benzoicacid, 3-amino-4-methyl-2-nitro-, 3-amino-4-methyl-2-nitrobenzoicacid
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.18362 |
| Topological Polar Surface Area | 106.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 414.04745 |
Chemical Identifiers
| CAS Number | 37901-90-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])N |
Product Overview
3-Amino-4-methyl-2-nitrobenzoic acid (CAS 37901-90-9), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 3-amino-4-methyl-2-nitrobenzoic acid.
Chemical Property Profile of 3-Amino-4-methyl-2-nitrobenzoic acid
Property Insights of 3-Amino-4-methyl-2-nitrobenzoic acid
The XLogP value of 1.18362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-methyl-2-nitrobenzoic acid. The TPSA of 106.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-methyl-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Amino-4-methyl-2-nitrobenzoic 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 3-Amino-4-methyl-2-nitrobenzoic acid?
The CAS number of 3-Amino-4-methyl-2-nitrobenzoic acid is 37901-90-9.
What is the molecular formula of 3-Amino-4-methyl-2-nitrobenzoic acid?
The molecular formula of 3-Amino-4-methyl-2-nitrobenzoic acid is C8H8N2O4.
What is the molecular weight of 3-Amino-4-methyl-2-nitrobenzoic acid?
The molecular weight of 3-Amino-4-methyl-2-nitrobenzoic acid is 196.05 g/mol.
Where can I buy 3-Amino-4-methyl-2-nitrobenzoic acid?
You can request a quote for 3-Amino-4-methyl-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-methyl-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-methyl-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.