4'-Fluoromaleanilic acid
TL;DR: 4'-Fluoromaleanilic acid (CAS 6635-97-8) 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-(4-fluoroanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(4-fluoroanilino)-4-oxobut-2-enoic acid, 4'-Fluoromaleanilic acid, 3-[(4-fluorophenyl)carbamoyl]prop-2-enoic acid, 4/'-Fluoromaleanilic acid, N-(4-Fluorophenyl)maleamic 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 | 6635-97-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)F |
| InChIKey | NRDZVHHPNZDWRA-AATRIKPKSA-N |
Product Overview
4'-Fluoromaleanilic acid (CAS 6635-97-8), with molecular formula C10H8FNO3 and molecular weight 209.05 g/mol. IUPAC: (E)-4-(4-fluoroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4'-Fluoromaleanilic acid
Property Insights of 4'-Fluoromaleanilic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Fluoromaleanilic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Fluoromaleanilic acid. Following Lipinski's Rule of Five, 4'-Fluoromaleanilic 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'-Fluoromaleanilic acid?
The CAS number of 4'-Fluoromaleanilic acid is 6635-97-8.
What is the molecular formula of 4'-Fluoromaleanilic acid?
The molecular formula of 4'-Fluoromaleanilic acid is C10H8FNO3.
What is the molecular weight of 4'-Fluoromaleanilic acid?
The molecular weight of 4'-Fluoromaleanilic acid is 209.05 g/mol.
Where can I buy 4'-Fluoromaleanilic acid?
You can request a quote for 4'-Fluoromaleanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Fluoromaleanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Fluoromaleanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.