2-amino-3,6-dimethyl-5-nitro-benzoic Acid
TL;DR: 2-amino-3,6-dimethyl-5-nitro-benzoic Acid (CAS 202131-72-4) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3,6-dimethyl-5-nitrobenzoic acid
Also Known As: 2-amino-3,6-dimethyl-5-nitrobenzoic acid, 2-amino-3,6-dimethyl-5-nitro-benzoic Acid, Benzoicacid,2-amino-3,6-dimethyl-5-nitro-, BENZOIC ACID, 2-AMINO-3,6-DIMETHYL-5-NITRO-, Benzoic acid, 2-amino-3,6-dimethyl-5-nitro- (9CI)
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 1.49204 |
| Topological Polar Surface Area | 106.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 453.91583 |
Chemical Identifiers
| CAS Number | 202131-72-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1N)C(=O)O)C)[N+](=O)[O-] |
Product Overview
2-amino-3,6-dimethyl-5-nitro-benzoic Acid (CAS 202131-72-4), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: 2-amino-3,6-dimethyl-5-nitrobenzoic acid.
Chemical Property Profile of 2-amino-3,6-dimethyl-5-nitro-benzoic Acid
Property Insights of 2-amino-3,6-dimethyl-5-nitro-benzoic Acid
The XLogP value of 1.49204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-3,6-dimethyl-5-nitro-benzoic Acid. The TPSA of 106.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-3,6-dimethyl-5-nitro-benzoic Acid. Following Lipinski's Rule of Five, 2-amino-3,6-dimethyl-5-nitro-benzoic 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-amino-3,6-dimethyl-5-nitro-benzoic Acid?
The CAS number of 2-amino-3,6-dimethyl-5-nitro-benzoic Acid is 202131-72-4.
What is the molecular formula of 2-amino-3,6-dimethyl-5-nitro-benzoic Acid?
The molecular formula of 2-amino-3,6-dimethyl-5-nitro-benzoic Acid is C9H10N2O4.
What is the molecular weight of 2-amino-3,6-dimethyl-5-nitro-benzoic Acid?
The molecular weight of 2-amino-3,6-dimethyl-5-nitro-benzoic Acid is 210.06 g/mol.
Where can I buy 2-amino-3,6-dimethyl-5-nitro-benzoic Acid?
You can request a quote for 2-amino-3,6-dimethyl-5-nitro-benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-3,6-dimethyl-5-nitro-benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-3,6-dimethyl-5-nitro-benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.