Hexadecyl dichloroacetate
TL;DR: Hexadecyl dichloroacetate (CAS 83005-03-2) is a chemical compound with molecular formula C18H34Cl2O2 and molecular weight 352.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 2,2-dichloroacetate
Also Known As: Hexadecyl dichloroacetate, hexadecyl 2,2-dichloroacetate, Acetic acid, dichloro-, hexadecyl ester, RefChem:347485
| Molecular Formula | C18H34Cl2O2 |
|---|---|
| Molecular Weight | 352.19 g/mol |
| LogP | 6.8146 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 352.19357 |
| Heavy Atoms | 22 |
| Complexity | 245.24165 |
Chemical Identifiers
| CAS Number | 83005-03-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C(Cl)Cl |
Product Overview
Hexadecyl dichloroacetate (CAS 83005-03-2), with molecular formula C18H34Cl2O2 and molecular weight 352.19 g/mol. IUPAC: hexadecyl 2,2-dichloroacetate.
Chemical Property Profile of Hexadecyl dichloroacetate
Property Insights of Hexadecyl dichloroacetate
The XLogP value of 6.8146 indicates that Hexadecyl dichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexadecyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl dichloroacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecyl dichloroacetate?
The CAS number of Hexadecyl dichloroacetate is 83005-03-2.
What is the molecular formula of Hexadecyl dichloroacetate?
The molecular formula of Hexadecyl dichloroacetate is C18H34Cl2O2.
What is the molecular weight of Hexadecyl dichloroacetate?
The molecular weight of Hexadecyl dichloroacetate is 352.19 g/mol.
Where can I buy Hexadecyl dichloroacetate?
You can request a quote for Hexadecyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.