Diethyl 2-phenylethyl phosphonate
TL;DR: Diethyl 2-phenylethyl phosphonate (CAS 54553-21-8) is a chemical compound with molecular formula C12H19O3P and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylethylbenzene
Also Known As: 2-diethoxyphosphorylethylbenzene, Diethyl 2-phenylethyl phosphonate, diethyl (2-phenylethyl)phosphonate, diethylphenethylphosphonate, diethyl 2-phenylethylphosphonate
| Molecular Formula | C12H19O3P |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 3.4952 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.10718 |
| Heavy Atoms | 16 |
| Complexity | 327.37692 |
Chemical Identifiers
| CAS Number | 54553-21-8 |
|---|---|
| SMILES | CCOP(=O)(CCC1=CC=CC=C1)OCC |
Product Overview
Diethyl 2-phenylethyl phosphonate (CAS 54553-21-8), with molecular formula C12H19O3P and molecular weight 242.11 g/mol. IUPAC: 2-diethoxyphosphorylethylbenzene.
Chemical Property Profile of Diethyl 2-phenylethyl phosphonate
Property Insights of Diethyl 2-phenylethyl phosphonate
The XLogP value of 3.4952 indicates that Diethyl 2-phenylethyl phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Diethyl 2-phenylethyl phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-phenylethyl phosphonate has 0 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 Diethyl 2-phenylethyl phosphonate?
The CAS number of Diethyl 2-phenylethyl phosphonate is 54553-21-8.
What is the molecular formula of Diethyl 2-phenylethyl phosphonate?
The molecular formula of Diethyl 2-phenylethyl phosphonate is C12H19O3P.
What is the molecular weight of Diethyl 2-phenylethyl phosphonate?
The molecular weight of Diethyl 2-phenylethyl phosphonate is 242.11 g/mol.
Where can I buy Diethyl 2-phenylethyl phosphonate?
You can request a quote for Diethyl 2-phenylethyl phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-phenylethyl phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-phenylethyl phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.