2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid
TL;DR: 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid (CAS 424813-82-1) is a chemical compound with molecular formula C16H13ClN2O7 and molecular weight 380.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-3-nitrobenzoyl)amino]-4,5-dimethoxybenzoic acid
Also Known As: A2897/0122009, 2-(4-CHLORO-3-NITROBENZAMIDO)-4,5-DIMETHOXYBENZOIC ACID, 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5-dimethoxybenzoic acid, 2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-4,5-dimethoxybenzoic acid
| Molecular Formula | C16H13ClN2O7 |
|---|---|
| Molecular Weight | 380.04 g/mol |
| LogP | 3.2159 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.04114 |
| Heavy Atoms | 26 |
| Complexity | 898.4073 |
Chemical Identifiers
| CAS Number | 424813-82-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC |
Product Overview
2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid (CAS 424813-82-1), with molecular formula C16H13ClN2O7 and molecular weight 380.04 g/mol. IUPAC: 2-[(4-chloro-3-nitrobenzoyl)amino]-4,5-dimethoxybenzoic acid.
Chemical Property Profile of 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid
Property Insights of 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid
The XLogP value of 3.2159 indicates that 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid. Following Lipinski's Rule of Five, 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic 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-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid?
The CAS number of 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid is 424813-82-1.
What is the molecular formula of 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid?
The molecular formula of 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid is C16H13ClN2O7.
What is the molecular weight of 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid?
The molecular weight of 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid is 380.04 g/mol.
Where can I buy 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid?
You can request a quote for 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-3-nitrobenzamido)-4,5-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.