Hexadecyl trichloroacetate
TL;DR: Hexadecyl trichloroacetate (CAS 74339-54-1) is a chemical compound with molecular formula C18H33Cl3O2 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 2,2,2-trichloroacetate
Also Known As: Hexadecyl trichloroacetate, hexadecyl 2,2,2-trichloroacetate, n-hexadecyltrichloroacetate, Hexadecyl trichloroacetate #, Trichloroacetic acid, hexadecyl ester
| Molecular Formula | C18H33Cl3O2 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 386.1546 |
| Heavy Atoms | 23 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 74339-54-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | CCFJXGUHYQBXDT-UHFFFAOYSA-N |
Product Overview
Hexadecyl trichloroacetate (CAS 74339-54-1), with molecular formula C18H33Cl3O2 and molecular weight 386.15 g/mol. IUPAC: hexadecyl 2,2,2-trichloroacetate.
Chemical Property Profile of Hexadecyl trichloroacetate
Property Insights of Hexadecyl trichloroacetate
The XLogP value of 9.6 indicates that Hexadecyl 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, Hexadecyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl 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 Hexadecyl trichloroacetate?
The CAS number of Hexadecyl trichloroacetate is 74339-54-1.
What is the molecular formula of Hexadecyl trichloroacetate?
The molecular formula of Hexadecyl trichloroacetate is C18H33Cl3O2.
What is the molecular weight of Hexadecyl trichloroacetate?
The molecular weight of Hexadecyl trichloroacetate is 386.15 g/mol.
Where can I buy Hexadecyl trichloroacetate?
You can request a quote for Hexadecyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.