![3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid structure](/static/products/929/929697-64-3.png)
3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid
TL;DR: 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid (CAS 929697-64-3) is a chemical compound with molecular formula C10H7ClFNO3 and molecular weight 243.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(3-chloro-4-fluoroanilino)-4-oxobut-2-enoic acid
Also Known As: 3-[(3-chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid, (2E)-4-[(3-chloro-4-fluorophenyl)amino]-4-oxobut-2-enoic acid, 3'-CHLORO-4'-FLUOROMALEANILIC ACID, (E)-4-(3-chloro-4-fluoroanilino)-4-oxobut-2-enoic acid, 4-((3-Chloro-4-fluorophenyl)amino)-4-oxobut-2-enoic acid
| Molecular Formula | C10H7ClFNO3 |
|---|---|
| Molecular Weight | 243.01 g/mol |
| LogP | 2.0584 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.00984 |
| Heavy Atoms | 16 |
| Complexity | 459.3774 |
Chemical Identifiers
| CAS Number | 929697-64-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)/C=C/C(=O)O)Cl)F |
Product Overview
3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid (CAS 929697-64-3), with molecular formula C10H7ClFNO3 and molecular weight 243.01 g/mol. IUPAC: (E)-4-(3-chloro-4-fluoroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid
Property Insights of 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid
The XLogP value of 2.0584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid has 2 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-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid?
The CAS number of 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid is 929697-64-3.
What is the molecular formula of 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid?
The molecular formula of 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid is C10H7ClFNO3.
What is the molecular weight of 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid?
The molecular weight of 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid is 243.01 g/mol.
Where can I buy 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid?
You can request a quote for 3-[(3-Chloro-4-fluorophenyl)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-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Chloro-4-fluorophenyl)carbamoyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.