Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester
TL;DR: Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester (CAS 85473-40-1) is a chemical compound with molecular formula C13H21FNO3P and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-[fluoro(2-phenylmethoxyethoxy)phosphoryl]ethanamine
Also Known As: Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester, 2-(Benzyloxy)ethyl N,N-diethylphosphoramidofluoridate, N-ethyl-N-[fluoro(2-phenylmethoxyethoxy)phosphoryl]ethanamine, N-ethyl-N-(fluoro-(2-phenylmethoxyethoxy)phosphoryl)ethanamine, Phosphoramidofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester (9CI)
| Molecular Formula | C13H21FNO3P |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 289.1243 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 85473-40-1 |
|---|---|
| SMILES | CCN(CC)P(=O)(OCCOCC1=CC=CC=C1)F |
| InChIKey | IDIVHWNOOBBXOV-UHFFFAOYSA-N |
Product Overview
Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester (CAS 85473-40-1), with molecular formula C13H21FNO3P and molecular weight 289.12 g/mol. IUPAC: N-ethyl-N-[fluoro(2-phenylmethoxyethoxy)phosphoryl]ethanamine.
Chemical Property Profile of Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester
Property Insights of Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester has 0 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 Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester?
The CAS number of Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester is 85473-40-1.
What is the molecular formula of Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester?
The molecular formula of Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester is C13H21FNO3P.
What is the molecular weight of Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester?
The molecular weight of Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester is 289.12 g/mol.
Where can I buy Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester?
You can request a quote for Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonofluoridic acid, diethyl-, 2-(phenylmethoxy)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.