4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid
TL;DR: 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid (CAS 780-05-2) is a chemical compound with molecular formula C10H8FNO3 and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluoroanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(4-fluoroanilino)-4-oxobut-2-enoic acid, N-(4-Fluorophenyl)maleamic acid, 3-[(4-fluorophenyl)carbamoyl]prop-2-enoic acid, (2E)-4-[(4-fluorophenyl)amino]-4-oxobut-2-enoic acid, (E)-4-(4-fluoroanilino)-4-oxo-but-2-enoic acid
| Molecular Formula | C10H8FNO3 |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.04883 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 780-05-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C=CC(=O)O)F |
| InChIKey | NRDZVHHPNZDWRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid (CAS 780-05-2), with molecular formula C10H8FNO3 and molecular weight 209.05 g/mol. IUPAC: 4-(4-fluoroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid
Property Insights of 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid 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 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid?
The CAS number of 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid is 780-05-2.
What is the molecular formula of 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid?
The molecular formula of 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid is C10H8FNO3.
What is the molecular weight of 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid?
The molecular weight of 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid is 209.05 g/mol.
Where can I buy 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid?
You can request a quote for 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Fluorophenyl)amino)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.