Tetradecyl dichloroacetate
TL;DR: Tetradecyl dichloroacetate (CAS 83005-02-1) is a chemical compound with molecular formula C16H30Cl2O2 and molecular weight 324.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetradecyl 2,2-dichloroacetate
Also Known As: Tetradecyl dichloroacetate, tetradecyl 2,2-dichloroacetate, Tetradecyl dichloroacetate #, Dichloroacetic acid, tetradecyl ester, Acetic acid, dichloro-, tetradecyl ester
| Molecular Formula | C16H30Cl2O2 |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 324.1623 |
| Heavy Atoms | 20 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 83005-02-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOC(=O)C(Cl)Cl |
| InChIKey | JFGNOMDHPRPBJP-UHFFFAOYSA-N |
Product Overview
Tetradecyl dichloroacetate (CAS 83005-02-1), with molecular formula C16H30Cl2O2 and molecular weight 324.16 g/mol. IUPAC: tetradecyl 2,2-dichloroacetate.
Chemical Property Profile of Tetradecyl dichloroacetate
Property Insights of Tetradecyl dichloroacetate
The XLogP value of 8.0 indicates that Tetradecyl 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, Tetradecyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetradecyl 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 Tetradecyl dichloroacetate?
The CAS number of Tetradecyl dichloroacetate is 83005-02-1.
What is the molecular formula of Tetradecyl dichloroacetate?
The molecular formula of Tetradecyl dichloroacetate is C16H30Cl2O2.
What is the molecular weight of Tetradecyl dichloroacetate?
The molecular weight of Tetradecyl dichloroacetate is 324.16 g/mol.
Where can I buy Tetradecyl dichloroacetate?
You can request a quote for Tetradecyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetradecyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Tetradecyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.