4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid (CAS 424800-35-1) is a chemical compound with molecular formula C10H7F2NO3 and molecular weight 227.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-difluoroanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(3,4-difluoroanilino)-4-oxobut-2-enoic acid, (2e)-3-[(3,4-difluorophenyl)carbamoyl]prop-2-enoic acid
| Molecular Formula | C10H7F2NO3 |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.0394 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 424800-35-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)C=CC(=O)O)F)F |
| InChIKey | HNGWFUYQWISQED-UHFFFAOYSA-N |
Product Overview
4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid (CAS 424800-35-1), with molecular formula C10H7F2NO3 and molecular weight 227.04 g/mol. IUPAC: 4-(3,4-difluoroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 5 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-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid is 424800-35-1.
What is the molecular formula of 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid is C10H7F2NO3.
What is the molecular weight of 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid is 227.04 g/mol.
Where can I buy 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(3,4-Difluoroanilino)-4-oxobut-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 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Difluoroanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.