![3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid structure](/static/products/7242/7242-16-2.webp)
3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid
TL;DR: 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid (CAS 7242-16-2) is a chemical compound with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloroanilino)-4-oxobut-2-enoic acid
Also Known As: N-(4-Chlorophenyl)Maleamic Acid, 4'-CHLOROMALEANILIC ACID, 4-(4-chloroanilino)-4-oxobut-2-enoic acid, 3-[(4-chlorophenyl)carbamoyl]prop-2-enoic acid, (2E)-4-[(4-chlorophenyl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C10H8ClNO3 |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.01927 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 7242-16-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C=CC(=O)O)Cl |
| InChIKey | FBTQVXSNFILAQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid (CAS 7242-16-2), with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol. IUPAC: 4-(4-chloroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid
Property Insights of 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid has 2 hydrogen bond donor(s) and 3 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-Chlorophenyl)carbamoyl]prop-2-enoic acid?
The CAS number of 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid is 7242-16-2.
What is the molecular formula of 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid?
The molecular formula of 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid is C10H8ClNO3.
What is the molecular weight of 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid?
The molecular weight of 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid is 225.02 g/mol.
Where can I buy 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid?
You can request a quote for 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic 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-Chlorophenyl)carbamoyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorophenyl)carbamoyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.