3-(Fluoromethyl)phosphoenolpyruvate
TL;DR: 3-(Fluoromethyl)phosphoenolpyruvate (CAS 112505-10-9) is a chemical compound with molecular formula C4H6FO6P and molecular weight 199.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-fluoro-2-phosphonooxybut-2-enoic acid
Also Known As: 3-Fmpep, 3-(Fluoromethyl)phosphoenolpyruvate, (Z)-4-fluoro-2-phosphonooxybut-2-enoic acid, RefChem:92642
| Molecular Formula | C4H6FO6P |
|---|---|
| Molecular Weight | 199.99 g/mol |
| LogP | 0.0337 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.9886 |
| Heavy Atoms | 12 |
| Complexity | 241.93265 |
Chemical Identifiers
| CAS Number | 112505-10-9 |
|---|---|
| SMILES | C(/C=C(/C(=O)O)\OP(=O)(O)O)F |
Product Overview
3-(Fluoromethyl)phosphoenolpyruvate (CAS 112505-10-9), with molecular formula C4H6FO6P and molecular weight 199.99 g/mol. IUPAC: (Z)-4-fluoro-2-phosphonooxybut-2-enoic acid.
Chemical Property Profile of 3-(Fluoromethyl)phosphoenolpyruvate
Property Insights of 3-(Fluoromethyl)phosphoenolpyruvate
The XLogP value of 0.0337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Fluoromethyl)phosphoenolpyruvate. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Fluoromethyl)phosphoenolpyruvate. Following Lipinski's Rule of Five, 3-(Fluoromethyl)phosphoenolpyruvate has 3 hydrogen bond donor(s) and 3 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-(Fluoromethyl)phosphoenolpyruvate?
The CAS number of 3-(Fluoromethyl)phosphoenolpyruvate is 112505-10-9.
What is the molecular formula of 3-(Fluoromethyl)phosphoenolpyruvate?
The molecular formula of 3-(Fluoromethyl)phosphoenolpyruvate is C4H6FO6P.
What is the molecular weight of 3-(Fluoromethyl)phosphoenolpyruvate?
The molecular weight of 3-(Fluoromethyl)phosphoenolpyruvate is 199.99 g/mol.
Where can I buy 3-(Fluoromethyl)phosphoenolpyruvate?
You can request a quote for 3-(Fluoromethyl)phosphoenolpyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Fluoromethyl)phosphoenolpyruvate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Fluoromethyl)phosphoenolpyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.