Diethyl (trichloromethyl)phosphonate
TL;DR: Diethyl (trichloromethyl)phosphonate (CAS 866-23-9) is a chemical compound with molecular formula C5H10Cl3O3P and molecular weight 253.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(trichloromethyl)phosphoryl]oxyethane
Also Known As: Diethyl (trichloromethyl)phosphonate, Diethyl trichloromethylphosphonate, Diethyltrichloromethylphosphonate, 1-[ethoxy(trichloromethyl)phosphoryl]oxyethane, Ro 3-0658
| Molecular Formula | C5H10Cl3O3P |
|---|---|
| Molecular Weight | 253.94 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.94331 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| Density | 1.362 @25 °C |
Chemical Identifiers
| CAS Number | 866-23-9 |
|---|---|
| SMILES | CCOP(=O)(C(Cl)(Cl)Cl)OCC |
| InChIKey | RVAQSYWDOSHWGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (trichloromethyl)phosphonate (CAS 866-23-9), with molecular formula C5H10Cl3O3P and molecular weight 253.94 g/mol. IUPAC: 1-[ethoxy(trichloromethyl)phosphoryl]oxyethane.
Chemical Property Profile of Diethyl (trichloromethyl)phosphonate
Property Insights of Diethyl (trichloromethyl)phosphonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (trichloromethyl)phosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl (trichloromethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (trichloromethyl)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 (trichloromethyl)phosphonate?
The CAS number of Diethyl (trichloromethyl)phosphonate is 866-23-9.
What is the molecular formula of Diethyl (trichloromethyl)phosphonate?
The molecular formula of Diethyl (trichloromethyl)phosphonate is C5H10Cl3O3P.
What is the molecular weight of Diethyl (trichloromethyl)phosphonate?
The molecular weight of Diethyl (trichloromethyl)phosphonate is 253.94 g/mol.
Where can I buy Diethyl (trichloromethyl)phosphonate?
You can request a quote for Diethyl (trichloromethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (trichloromethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (trichloromethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.