2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate
TL;DR: 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate (CAS 33252-87-8) is a chemical compound with molecular formula C11H15Cl2O4PS and molecular weight 343.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate
Also Known As: 2,2-dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate, 2,2-Dichloroethenyl methyl 4-(thiophen-2-yl)butyl phosphate, 2,2-Dichloroethen-1-yl methyl 4-(thiophen-2-yl)butyl phosphate, 2-[4-(2,2-dichloroethenoxy-methoxy-phosphoryl)oxybutyl]thiophene
| Molecular Formula | C11H15Cl2O4PS |
|---|---|
| Molecular Weight | 343.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 343.98056 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 33252-87-8 |
|---|---|
| SMILES | COP(=O)(OCCCCC1=CC=CS1)OC=C(Cl)Cl |
| InChIKey | HEWYQTPDXNDGMA-UHFFFAOYSA-N |
Product Overview
2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate (CAS 33252-87-8), with molecular formula C11H15Cl2O4PS and molecular weight 343.98 g/mol. IUPAC: 2,2-dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate.
Chemical Property Profile of 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate
Property Insights of 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate
The XLogP value of 3.8 indicates that 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate. Following Lipinski's Rule of Five, 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate has 0 hydrogen bond donor(s) and 5 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 methyl 4-thiophen-2-ylbutyl phosphate?
The CAS number of 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate is 33252-87-8.
What is the molecular formula of 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate?
The molecular formula of 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate is C11H15Cl2O4PS.
What is the molecular weight of 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate?
The molecular weight of 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate is 343.98 g/mol.
Where can I buy 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate?
You can request a quote for 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl 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 methyl 4-thiophen-2-ylbutyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloroethenyl methyl 4-thiophen-2-ylbutyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.