2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate
TL;DR: 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate (CAS 2665-28-3) is a chemical compound with molecular formula C12H13Cl4O4P and molecular weight 391.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] diethyl phosphate
Also Known As: Shell SD-8448, SHELL SD 8448, 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate, Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl ester, [2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] diethyl phosphate
| Molecular Formula | C12H13Cl4O4P |
|---|---|
| Molecular Weight | 391.93 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.9276 |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 2665-28-3 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | CLHQARIBFJSSMD-UHFFFAOYSA-N |
Product Overview
2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate (CAS 2665-28-3), with molecular formula C12H13Cl4O4P and molecular weight 391.93 g/mol. IUPAC: [2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] diethyl phosphate.
Chemical Property Profile of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate
Property Insights of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate
The XLogP value of 4.3 indicates that 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate 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 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate?
The CAS number of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate is 2665-28-3.
What is the molecular formula of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate?
The molecular formula of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate is C12H13Cl4O4P.
What is the molecular weight of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate?
The molecular weight of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate is 391.93 g/mol.
Where can I buy 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate?
You can request a quote for 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl diethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.