![[1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate structure](/static/products/6395/63955-97-5.webp)
[1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate
TL;DR: [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate (CAS 63955-97-5) is a chemical compound with molecular formula C12H14BrCl2O4P and molecular weight 401.919 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(5-bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate
Also Known As: Shell SD-8970, ENT 27,100, SD 8970, 1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl diethyl phosphate, Phosphoric acid, 1-(5-bromo-2-chlorophenyl)-2-chloroethenyl diethyl ester
Technical Specifications
| Molecular Formula | C12H14BrCl2O4P |
| Molecular Weight | 401.919 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.919 Da |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
| SMILES | CCOP(=O)(OCC)OC(=CCl)C1=C(C=CC(=C1)Br)Cl |
| InChIKey | DYIQAFYHUXCJID-UHFFFAOYSA-N |
Chemical Property Profile of [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate
Property Insights of [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate
The XLogP value of 3.2 indicates that [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] 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, [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] 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
What is the CAS number of [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate?
The CAS number of [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate is 63955-97-5.
What is the molecular formula of [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate?
The molecular formula of [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate is C12H14BrCl2O4P.
What is the molecular weight of [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate?
The molecular weight of [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate is 401.919 g/mol.
Where can I buy [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate?
You can request a quote for [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate?
Yes, CoreyChem provides custom synthesis services for [1-(5-Bromo-2-chlorophenyl)-2-chloroethenyl] diethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.