![3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid structure](/static/products/861/861441-36-3.png)
3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid
TL;DR: 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid (CAS 861441-36-3) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-ethylphenyl)carbamoylamino]benzoic acid
Also Known As: 3-(3-(4-ethylphenyl)ureido)benzoic acid, 3-[(4-ethylphenyl)carbamoylamino]benzoic Acid, 3-{[(4-ethylphenyl)carbamoyl]amino}benzoic acid, 3-{[(4-ethylphenyl)amino]carbonylamino}benzoic acid, 3-{[(4-ETHYLANILINO)CARBONYL]AMINO}BENZOIC ACID
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 3.5912 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 650.8266 |
Chemical Identifiers
| CAS Number | 861441-36-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid (CAS 861441-36-3), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: 3-[(4-ethylphenyl)carbamoylamino]benzoic acid.
Chemical Property Profile of 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid
Property Insights of 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid
The XLogP value of 3.5912 indicates that 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid has 3 hydrogen bond donor(s) and 2 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-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid?
The CAS number of 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid is 861441-36-3.
What is the molecular formula of 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid?
The molecular formula of 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid is C16H16N2O3.
What is the molecular weight of 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid?
The molecular weight of 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid is 284.12 g/mol.
Where can I buy 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid?
You can request a quote for 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Ethylphenyl)carbamoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.