3-Chloropropyl 2,2-dichloroethenyl methyl phosphate
TL;DR: 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate (CAS 5326-21-6) is a chemical compound with molecular formula C6H10Cl3O4P and molecular weight 281.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropropyl 2,2-dichloroethenyl methyl phosphate
Also Known As: 3-chloropropyl 2,2-dichloroethenyl methyl phosphate, Phosphoric acid, 3-chloropropyl 2,2-dichlorovinyl methyl ester, 3-Chloropropyl 2,2-dichlorovinyl methyl ester of phosphoric acid, Methyl(3-chloropropyl)(2,2-dichlorovinyl) =phosphate, 3-Chloropropyl 2,2-dichloroethen-1-yl methyl phosphate
| Molecular Formula | C6H10Cl3O4P |
|---|---|
| Molecular Weight | 281.94 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 281.93823 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 5326-21-6 |
|---|---|
| SMILES | COP(=O)(OCCCCl)OC=C(Cl)Cl |
| InChIKey | UKRKQSPQYNPCOJ-UHFFFAOYSA-N |
Product Overview
3-Chloropropyl 2,2-dichloroethenyl methyl phosphate (CAS 5326-21-6), with molecular formula C6H10Cl3O4P and molecular weight 281.94 g/mol. IUPAC: 3-chloropropyl 2,2-dichloroethenyl methyl phosphate.
Chemical Property Profile of 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate
Property Insights of 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropropyl 2,2-dichloroethenyl 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 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate?
The CAS number of 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate is 5326-21-6.
What is the molecular formula of 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate?
The molecular formula of 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate is C6H10Cl3O4P.
What is the molecular weight of 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate?
The molecular weight of 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate is 281.94 g/mol.
Where can I buy 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate?
You can request a quote for 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropropyl 2,2-dichloroethenyl methyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.