2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-
TL;DR: 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)- (CAS 587-76-8) is a chemical compound with molecular formula C16H12FNO3 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
Also Known As: 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid, BAS 00100311, 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-, 2-Propenoic acid,2-(benzoylamino)-3-(4-fluorophenyl)
| Molecular Formula | C16H12FNO3 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.0801 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 587-76-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)F)C(=O)O |
| InChIKey | WCKFORMNIXDMCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)- (CAS 587-76-8), with molecular formula C16H12FNO3 and molecular weight 285.08 g/mol. IUPAC: 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-
Property Insights of 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)- has 2 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-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-?
The CAS number of 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)- is 587-76-8.
What is the molecular formula of 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-?
The molecular formula of 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)- is C16H12FNO3.
What is the molecular weight of 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-?
The molecular weight of 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)- is 285.08 g/mol.
Where can I buy 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-?
You can request a quote for 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.