2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate
TL;DR: 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate (CAS 3309-67-9) is a chemical compound with molecular formula C7H11Cl4O4P and molecular weight 329.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethenyl 2,3-dichloropropyl ethyl phosphate
Also Known As: Shell SD-1996, 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate, ENT 25,689, SD 1996, Phosphoric acid, 2,2-dichloroethenyl 2,3-dichloropropyl ethyl ester
| Molecular Formula | C7H11Cl4O4P |
|---|---|
| Molecular Weight | 329.91 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.91196 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 3309-67-9 |
|---|---|
| SMILES | CCOP(=O)(OCC(CCl)Cl)OC=C(Cl)Cl |
| InChIKey | BHFXPVGYEDGFFF-UHFFFAOYSA-N |
Product Overview
2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate (CAS 3309-67-9), with molecular formula C7H11Cl4O4P and molecular weight 329.91 g/mol. IUPAC: 2,2-dichloroethenyl 2,3-dichloropropyl ethyl phosphate.
Chemical Property Profile of 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate
Property Insights of 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate
The XLogP value of 3.0 indicates that 2,2-Dichloroethenyl 2,3-dichloropropyl 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, 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloroethenyl 2,3-dichloropropyl 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 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate?
The CAS number of 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate is 3309-67-9.
What is the molecular formula of 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate?
The molecular formula of 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate is C7H11Cl4O4P.
What is the molecular weight of 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate?
The molecular weight of 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate is 329.91 g/mol.
Where can I buy 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate?
You can request a quote for 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloroethenyl 2,3-dichloropropyl ethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.