2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate
TL;DR: 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate (CAS 51963-27-0) is a chemical compound with molecular formula C11H11Cl4O4P and molecular weight 377.91 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] ethyl methyl phosphate
Also Known As: alpha-Acetoxynpip, Shell SD-9102, alpha-Acetoxy-N-nitrosopiperidine, SD 9102, alpha-Acetoxy-N-nitroso-piperidine
| Molecular Formula | C11H11Cl4O4P |
|---|---|
| Molecular Weight | 377.91 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.91196 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 51963-27-0 |
|---|---|
| SMILES | CCOP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | OMKXXOFVSVRWQO-UHFFFAOYSA-N |
Product Overview
2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate (CAS 51963-27-0), with molecular formula C11H11Cl4O4P and molecular weight 377.91 g/mol. IUPAC: [2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] ethyl methyl phosphate.
Chemical Property Profile of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate
Property Insights of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate
The XLogP value of 3.9 indicates that 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl 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 ethyl methyl 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 ethyl methyl 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 ethyl methyl phosphate?
The CAS number of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate is 51963-27-0.
What is the molecular formula of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate?
The molecular formula of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate is C11H11Cl4O4P.
What is the molecular weight of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate?
The molecular weight of 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate is 377.91 g/mol.
Where can I buy 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate?
You can request a quote for 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl 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 ethyl methyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.