Chlorethoxyfos oxon
TL;DR: Chlorethoxyfos oxon (CAS 3957-63-9) is a chemical compound with molecular formula C6H11Cl4O4P and molecular weight 317.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1,2,2,2-tetrachloroethyl phosphate
Also Known As: Chlorethoxyfos oxon, Diethyl 1,2,2,2-tetrachloroethyl phosphate, Diaethyl tetrachloraethyl phosphat, Diaethyl tetrachloraethyl phosphat [German], Phosphoric acid, diethyl 1,2,2,2-tetrachloroethyl ester
| Molecular Formula | C6H11Cl4O4P |
|---|---|
| Molecular Weight | 317.91 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.91196 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 3957-63-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(C(Cl)(Cl)Cl)Cl |
| InChIKey | NILOGSUCKNGCDM-UHFFFAOYSA-N |
Product Overview
Chlorethoxyfos oxon (CAS 3957-63-9), with molecular formula C6H11Cl4O4P and molecular weight 317.91 g/mol. IUPAC: diethyl 1,2,2,2-tetrachloroethyl phosphate.
Chemical Property Profile of Chlorethoxyfos oxon
Property Insights of Chlorethoxyfos oxon
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorethoxyfos oxon. With a topological polar surface area (TPSA) of 44.8 Ų, Chlorethoxyfos oxon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorethoxyfos oxon 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 Chlorethoxyfos oxon?
The CAS number of Chlorethoxyfos oxon is 3957-63-9.
What is the molecular formula of Chlorethoxyfos oxon?
The molecular formula of Chlorethoxyfos oxon is C6H11Cl4O4P.
What is the molecular weight of Chlorethoxyfos oxon?
The molecular weight of Chlorethoxyfos oxon is 317.91 g/mol.
Where can I buy Chlorethoxyfos oxon?
You can request a quote for Chlorethoxyfos oxon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorethoxyfos oxon?
Yes, KEHONG BIO provides custom synthesis services for Chlorethoxyfos oxon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.