![4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid structure](/static/products/755/7558-85-2.png)
4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid
TL;DR: 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid (CAS 7558-85-2) 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.
(E)-4-(3-fluoroanilino)-4-oxobut-2-enoic acid
Also Known As: Maleanilic acid, 3'-fluoro-, 4-[(3-fluorophenyl)amino]-4-oxobut-2-enoic acid, 4-(3-Fluoroanilino)-4-oxobut-2-enoic acid, BAS 00005880, 3-(3-Fluoro-phenylcarbamoyl)-acrylic acid
| Molecular Formula | C10H8FNO3 |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.4 |
| 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 | 278.0 |
Chemical Identifiers
| CAS Number | 7558-85-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC(=O)/C=C/C(=O)O |
| InChIKey | FJNNPZCSFCJFME-SNAWJCMRSA-N |
Product Overview
4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid (CAS 7558-85-2), with molecular formula C10H8FNO3 and molecular weight 209.05 g/mol. IUPAC: (E)-4-(3-fluoroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid
Property Insights of 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic 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-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid?
The CAS number of 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid is 7558-85-2.
What is the molecular formula of 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid is C10H8FNO3.
What is the molecular weight of 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid is 209.05 g/mol.
Where can I buy 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[(3-Fluorophenyl)amino]-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-Fluorophenyl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Fluorophenyl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.