2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate
TL;DR: 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate (CAS 729-69-1) is a chemical compound with molecular formula C9H9Cl4O4P and molecular weight 351.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl methyl (2,4,5-trichlorophenyl) phosphate
Also Known As: 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate, Phosphoric acid, 2-chloroethyl methyl 2,4,5-trichlorophenyl ester, Methyl-beta-chloroethyl phosphate de trichloro-2,4,5-phenyle, Methyl-beta-chloroethyl phosphate de trichloro-2,4,5-phenyle [French], 2-chloroethyl methyl (2,4,5-trichlorophenyl) phosphate
| Molecular Formula | C9H9Cl4O4P |
|---|---|
| Molecular Weight | 351.90 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 | 353.8963 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 729-69-1 |
|---|---|
| SMILES | COP(=O)(OCCCl)OC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | YTUAMYFKQDWSHF-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate (CAS 729-69-1), with molecular formula C9H9Cl4O4P and molecular weight 351.90 g/mol. IUPAC: 2-chloroethyl methyl (2,4,5-trichlorophenyl) phosphate.
Chemical Property Profile of 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate
Property Insights of 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate
The XLogP value of 3.9 indicates that 2-Chloroethyl methyl 2,4,5-trichlorophenyl 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-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl methyl 2,4,5-trichlorophenyl 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-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate?
The CAS number of 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate is 729-69-1.
What is the molecular formula of 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate?
The molecular formula of 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate is C9H9Cl4O4P.
What is the molecular weight of 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate?
The molecular weight of 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate is 351.90 g/mol.
Where can I buy 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate?
You can request a quote for 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl methyl 2,4,5-trichlorophenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.