Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate
TL;DR: Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate (CAS 385417-33-4) is a chemical compound with molecular formula C17H16FO3P and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol
Also Known As: [ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol|ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate|ethyl [(4-fluorophenyl)(hydroxy)methyl](phenylethynyl)phosphinate
| Molecular Formula | C17H16FO3P |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 4.1404 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.08212 |
| Heavy Atoms | 22 |
| Complexity | 717.06445 |
Chemical Identifiers
| CAS Number | 385417-33-4 |
|---|---|
| SMILES | CCOP(=O)(C#CC1=CC=CC=C1)C(C2=CC=C(C=C2)F)O |
Product Overview
Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate (CAS 385417-33-4), with molecular formula C17H16FO3P and molecular weight 318.08 g/mol. IUPAC: [ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol.
Chemical Property Profile of Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate
Property Insights of Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate
The XLogP value of 4.1404 indicates that Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate has 1 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 Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate?
The CAS number of Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate is 385417-33-4.
What is the molecular formula of Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate?
The molecular formula of Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate is C17H16FO3P.
What is the molecular weight of Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate?
The molecular weight of Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate is 318.08 g/mol.
Where can I buy Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate?
You can request a quote for Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ((4-fluorophenyl)(hydroxy)methyl)(phenylethynyl)phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.