Diethyl P-(1-phenylethyl)phosphonate
TL;DR: Diethyl P-(1-phenylethyl)phosphonate (CAS 33973-48-7) 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.
1-diethoxyphosphorylethylbenzene
Also Known As: Diethyl 1-phenylethylphosphonate, Diethyl 1-phenylethyl phosphonate, 1-diethoxyphosphorylethylbenzene, diethyl (1-phenylethyl)phosphonate, Phosphonic acid, diethyl ester
| Molecular Formula | C12H19O3P |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.10718 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 33973-48-7 |
|---|---|
| SMILES | CCOP(=O)(C(C)C1=CC=CC=C1)OCC |
| InChIKey | FODNNPZZKXOLLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl P-(1-phenylethyl)phosphonate (CAS 33973-48-7), with molecular formula C12H19O3P and molecular weight 242.11 g/mol. IUPAC: 1-diethoxyphosphorylethylbenzene.
Chemical Property Profile of Diethyl P-(1-phenylethyl)phosphonate
Property Insights of Diethyl P-(1-phenylethyl)phosphonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl P-(1-phenylethyl)phosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl P-(1-phenylethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl P-(1-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 P-(1-phenylethyl)phosphonate?
The CAS number of Diethyl P-(1-phenylethyl)phosphonate is 33973-48-7.
What is the molecular formula of Diethyl P-(1-phenylethyl)phosphonate?
The molecular formula of Diethyl P-(1-phenylethyl)phosphonate is C12H19O3P.
What is the molecular weight of Diethyl P-(1-phenylethyl)phosphonate?
The molecular weight of Diethyl P-(1-phenylethyl)phosphonate is 242.11 g/mol.
Where can I buy Diethyl P-(1-phenylethyl)phosphonate?
You can request a quote for Diethyl P-(1-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 P-(1-phenylethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl P-(1-phenylethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.