2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid
TL;DR: 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid (CAS 7159-41-3) is a chemical compound with molecular formula C15H14N2O6 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyanilino)-4-nitrobenzoic acid
Also Known As: 2-(3,4-dimethoxyanilino)-4-nitrobenzoic acid, 2-[(3,4-dimethoxyphenyl)amino]-4-nitrobenzoic acid, 2-[(3,4-dimethoxyphenyl)amino]-4-nitro-benzoic Acid
| Molecular Formula | C15H14N2O6 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 3.0538 |
| Topological Polar Surface Area | 110.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.08517 |
| Heavy Atoms | 23 |
| Complexity | 759.6275 |
Chemical Identifiers
| CAS Number | 7159-41-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)OC |
Product Overview
2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid (CAS 7159-41-3), with molecular formula C15H14N2O6 and molecular weight 318.09 g/mol. IUPAC: 2-(3,4-dimethoxyanilino)-4-nitrobenzoic acid.
Chemical Property Profile of 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid
Property Insights of 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid
The XLogP value of 3.0538 indicates that 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid has 2 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-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid?
The CAS number of 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid is 7159-41-3.
What is the molecular formula of 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid?
The molecular formula of 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid is C15H14N2O6.
What is the molecular weight of 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid?
The molecular weight of 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid is 318.09 g/mol.
Where can I buy 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid?
You can request a quote for 2-(3,4-Dimethoxyanilino)-4-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-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethoxyanilino)-4-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.