2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate
TL;DR: 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate (CAS 30087-07-1) is a chemical compound with molecular formula C13H17Cl2O4P and molecular weight 338.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethenyl methyl 4-phenylbutyl phosphate
Also Known As: 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate, Phosphoric acid, 2,2-dichloroethenyl methyl 4-phenylbutyl ester, 2,2-Dichloroethen-1-yl methyl 4-phenylbutyl phosphate
| Molecular Formula | C13H17Cl2O4P |
|---|---|
| Molecular Weight | 338.02 g/mol |
| LogP | 5.0735 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 338.02414 |
| Heavy Atoms | 20 |
| Complexity | 460.6988 |
Chemical Identifiers
| CAS Number | 30087-07-1 |
|---|---|
| SMILES | COP(=O)(OCCCCC1=CC=CC=C1)OC=C(Cl)Cl |
Product Overview
2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate (CAS 30087-07-1), with molecular formula C13H17Cl2O4P and molecular weight 338.02 g/mol. IUPAC: 2,2-dichloroethenyl methyl 4-phenylbutyl phosphate.
Chemical Property Profile of 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate
Property Insights of 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate
The XLogP value of 5.0735 indicates that 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate?
The CAS number of 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate is 30087-07-1.
What is the molecular formula of 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate?
The molecular formula of 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate is C13H17Cl2O4P.
What is the molecular weight of 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate?
The molecular weight of 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate is 338.02 g/mol.
Where can I buy 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate?
You can request a quote for 2,2-Dichloroethenyl methyl 4-phenylbutyl 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-phenylbutyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloroethenyl methyl 4-phenylbutyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.