Diethyl benzylphosphonate
TL;DR: Diethyl benzylphosphonate (CAS 1080-32-6) is a chemical compound with molecular formula C11H17O3P and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxyphosphorylmethylbenzene
Also Known As: Diethyl benzylphosphonate, Benzylphosphonic acid diethyl ester, diethoxyphosphorylmethylbenzene, Diethoxyphosphonomethylbenzene, Diethyl phosphonate, benzyl-
| Molecular Formula | C11H17O3P |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.09154 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 1080-32-6 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=CC=C1)OCC |
| InChIKey | AIPRAPZUGUTQKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl benzylphosphonate (CAS 1080-32-6), with molecular formula C11H17O3P and molecular weight 228.09 g/mol. IUPAC: diethoxyphosphorylmethylbenzene.
Chemical Property Profile of Diethyl benzylphosphonate
Property Insights of Diethyl benzylphosphonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl benzylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl benzylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl benzylphosphonate 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 benzylphosphonate?
The CAS number of Diethyl benzylphosphonate is 1080-32-6.
What is the molecular formula of Diethyl benzylphosphonate?
The molecular formula of Diethyl benzylphosphonate is C11H17O3P.
What is the molecular weight of Diethyl benzylphosphonate?
The molecular weight of Diethyl benzylphosphonate is 228.09 g/mol.
Where can I buy Diethyl benzylphosphonate?
You can request a quote for Diethyl benzylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl benzylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl benzylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.