2-Fluoro-2-butenedioic acid
TL;DR: 2-Fluoro-2-butenedioic acid (CAS 672-18-4) is a chemical compound with molecular formula C4H3FO4 and molecular weight 134.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluorobut-2-enedioic acid
Also Known As: 2-Fluorofumarate, Fluorofumaric acid, 2-fluoro-2-butenedioic acid, 2-fluorobut-2-enedioic acid, (2Z)-2-Fluorobut-2-enedioic acid
| Molecular Formula | C4H3FO4 |
|---|---|
| Molecular Weight | 134.00 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.00154 |
| Heavy Atoms | 9 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 672-18-4 |
|---|---|
| SMILES | C(=C(C(=O)O)F)C(=O)O |
| InChIKey | OISKHJXTRQPMQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-2-butenedioic acid (CAS 672-18-4), with molecular formula C4H3FO4 and molecular weight 134.00 g/mol. IUPAC: 2-fluorobut-2-enedioic acid.
Chemical Property Profile of 2-Fluoro-2-butenedioic acid
Property Insights of 2-Fluoro-2-butenedioic acid
The XLogP value of -0.1 indicates that 2-Fluoro-2-butenedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluoro-2-butenedioic acid. Following Lipinski's Rule of Five, 2-Fluoro-2-butenedioic 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 2-Fluoro-2-butenedioic acid?
The CAS number of 2-Fluoro-2-butenedioic acid is 672-18-4.
What is the molecular formula of 2-Fluoro-2-butenedioic acid?
The molecular formula of 2-Fluoro-2-butenedioic acid is C4H3FO4.
What is the molecular weight of 2-Fluoro-2-butenedioic acid?
The molecular weight of 2-Fluoro-2-butenedioic acid is 134.00 g/mol.
Where can I buy 2-Fluoro-2-butenedioic acid?
You can request a quote for 2-Fluoro-2-butenedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-2-butenedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-2-butenedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.