3-Fluoro-2-(phosphonooxy)prop-2-enoic acid
TL;DR: 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid (CAS 44976-98-9) is a chemical compound with molecular formula C3H4FO6P and molecular weight 185.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-2-phosphonooxyprop-2-enoic acid
Also Known As: 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid, 2-Propenoic acid, 3-fluoro-2-(phosphonooxy)-, (Z)-
| Molecular Formula | C3H4FO6P |
|---|---|
| Molecular Weight | 185.97 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.97295 |
| Heavy Atoms | 11 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 44976-98-9 |
|---|---|
| SMILES | C(=C(C(=O)O)OP(=O)(O)O)F |
| InChIKey | XIWAVTKCZSZISQ-UHFFFAOYSA-N |
Product Overview
3-Fluoro-2-(phosphonooxy)prop-2-enoic acid (CAS 44976-98-9), with molecular formula C3H4FO6P and molecular weight 185.97 g/mol. IUPAC: 3-fluoro-2-phosphonooxyprop-2-enoic acid.
Chemical Property Profile of 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid
Property Insights of 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid
The XLogP value of -1.3 indicates that 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid has 3 hydrogen bond donor(s) and 7 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 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid?
The CAS number of 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid is 44976-98-9.
What is the molecular formula of 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid?
The molecular formula of 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid is C3H4FO6P.
What is the molecular weight of 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid?
The molecular weight of 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid is 185.97 g/mol.
Where can I buy 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid?
You can request a quote for 3-Fluoro-2-(phosphonooxy)prop-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 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-2-(phosphonooxy)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.