Tetradecyl trichloroacetate
TL;DR: Tetradecyl trichloroacetate (CAS 74339-52-9) is a chemical compound with molecular formula C16H29Cl3O2 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetradecyl 2,2,2-trichloroacetate
Also Known As: Tetradecyl trichloroacetate, n-tetradecyltrichloro-acetate, Tetradecyl trichloroacetate #, tetradecyl 2,2,2-trichloroacetate, Trichloroacetic acid, tetradecyl ester
| Molecular Formula | C16H29Cl3O2 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 358.12332 |
| Heavy Atoms | 21 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 74339-52-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | CAUJGQDJKZXWDE-UHFFFAOYSA-N |
Product Overview
Tetradecyl trichloroacetate (CAS 74339-52-9), with molecular formula C16H29Cl3O2 and molecular weight 358.12 g/mol. IUPAC: tetradecyl 2,2,2-trichloroacetate.
Chemical Property Profile of Tetradecyl trichloroacetate
Property Insights of Tetradecyl trichloroacetate
The XLogP value of 8.5 indicates that Tetradecyl trichloroacetate 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 trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetradecyl trichloroacetate 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 trichloroacetate?
The CAS number of Tetradecyl trichloroacetate is 74339-52-9.
What is the molecular formula of Tetradecyl trichloroacetate?
The molecular formula of Tetradecyl trichloroacetate is C16H29Cl3O2.
What is the molecular weight of Tetradecyl trichloroacetate?
The molecular weight of Tetradecyl trichloroacetate is 358.12 g/mol.
Where can I buy Tetradecyl trichloroacetate?
You can request a quote for Tetradecyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetradecyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Tetradecyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.