![2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid structure](/static/products/7778/777871-41-7.webp)
2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid
TL;DR: 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid (CAS 777871-41-7) is a chemical compound with molecular formula C16H15ClN2O5 and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
Also Known As: KSC-11-260-8, A4131/0176185, 2-(3-(4-chlorophenyl)ureido)-4,5-dimethoxybenzoic acid, 2-{[(4-chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid, 2-{[(4-chlorophenyl)carbamoyl]amino}-4,5-dimethoxybenzoic acid
| Molecular Formula | C16H15ClN2O5 |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 3.6994 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.06696 |
| Heavy Atoms | 24 |
| Complexity | 761.8082 |
Chemical Identifiers
| CAS Number | 777871-41-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)NC(=O)NC2=CC=C(C=C2)Cl)OC |
Product Overview
2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid (CAS 777871-41-7), with molecular formula C16H15ClN2O5 and molecular weight 350.07 g/mol. IUPAC: 2-[(4-chlorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid.
Chemical Property Profile of 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid
Property Insights of 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid
The XLogP value of 3.6994 indicates that 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid. Following Lipinski's Rule of Five, 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid has 3 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-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid?
The CAS number of 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid is 777871-41-7.
What is the molecular formula of 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid?
The molecular formula of 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid is C16H15ClN2O5.
What is the molecular weight of 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid?
The molecular weight of 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid is 350.07 g/mol.
Where can I buy 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid?
You can request a quote for 2-{[(4-Chloroanilino)carbonyl]amino}-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-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Chloroanilino)carbonyl]amino}-4,5-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.