Diethyl phenylthiomethylphosphonate
TL;DR: Diethyl phenylthiomethylphosphonate (CAS 38066-16-9) is a chemical compound with molecular formula C11H17O3PS and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxyphosphorylmethylsulfanylbenzene
Also Known As: Diethyl phenylthiomethylphosphonate, diethoxyphosphorylmethylsulfanylbenzene, DIethylphenYLTHIOMETHYLPHOSPHONATE, Diethyl ((phenylthio)methyl)phosphonate, Diethyl [(phenylthio)methyl]phosphonate
| Molecular Formula | C11H17O3PS |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.0636 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 38066-16-9 |
|---|---|
| SMILES | CCOP(=O)(CSC1=CC=CC=C1)OCC |
| InChIKey | FBUXEPJJFVDUFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl phenylthiomethylphosphonate (CAS 38066-16-9), with molecular formula C11H17O3PS and molecular weight 260.06 g/mol. IUPAC: diethoxyphosphorylmethylsulfanylbenzene.
Chemical Property Profile of Diethyl phenylthiomethylphosphonate
Property Insights of Diethyl phenylthiomethylphosphonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl phenylthiomethylphosphonate. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl phenylthiomethylphosphonate. Following Lipinski's Rule of Five, Diethyl phenylthiomethylphosphonate has 0 hydrogen bond donor(s) and 4 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 phenylthiomethylphosphonate?
The CAS number of Diethyl phenylthiomethylphosphonate is 38066-16-9.
What is the molecular formula of Diethyl phenylthiomethylphosphonate?
The molecular formula of Diethyl phenylthiomethylphosphonate is C11H17O3PS.
What is the molecular weight of Diethyl phenylthiomethylphosphonate?
The molecular weight of Diethyl phenylthiomethylphosphonate is 260.06 g/mol.
Where can I buy Diethyl phenylthiomethylphosphonate?
You can request a quote for Diethyl phenylthiomethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl phenylthiomethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl phenylthiomethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.