2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate
TL;DR: 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate (CAS 729-70-4) is a chemical compound with molecular formula C10H12Cl3O4P and molecular weight 331.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl (2,4-dichlorophenyl) ethyl phosphate
Also Known As: 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate, Ethyl-beta-chloroethyl phosphate de dichloro-2,4-phenyle, Phosphoric acid, 2-chloroethyl 2,4-dichlorophenyl ethyl ester, 2-chloroethyl (2,4-dichlorophenyl) ethyl phosphate, Ethyl-beta-chloroethyl phosphate de dichloro-2,4-phenyle [French]
| Molecular Formula | C10H12Cl3O4P |
|---|---|
| Molecular Weight | 331.95 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.9539 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 729-70-4 |
|---|---|
| SMILES | CCOP(=O)(OCCCl)OC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | FXUNAVNMRPVKIU-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate (CAS 729-70-4), with molecular formula C10H12Cl3O4P and molecular weight 331.95 g/mol. IUPAC: 2-chloroethyl (2,4-dichlorophenyl) ethyl phosphate.
Chemical Property Profile of 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate
Property Insights of 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate
The XLogP value of 3.6 indicates that 2-Chloroethyl 2,4-dichlorophenyl ethyl 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 2,4-dichlorophenyl ethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 2,4-dichlorophenyl ethyl 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 2,4-dichlorophenyl ethyl phosphate?
The CAS number of 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate is 729-70-4.
What is the molecular formula of 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate?
The molecular formula of 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate is C10H12Cl3O4P.
What is the molecular weight of 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate?
The molecular weight of 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate is 331.95 g/mol.
Where can I buy 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate?
You can request a quote for 2-Chloroethyl 2,4-dichlorophenyl ethyl 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 2,4-dichlorophenyl ethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2,4-dichlorophenyl ethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.