Octadecyl trichloroacetate
TL;DR: Octadecyl trichloroacetate (CAS 35425-17-3) is a chemical compound with molecular formula C20H37Cl3O2 and molecular weight 414.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 2,2,2-trichloroacetate
Also Known As: Octadecyl trichloroacetate, Stearyl trichloroacetate, n-octadecyltrichloroacetate, Trichloroacetic acid stearyl ester, trichloroacetic acid, stearyl ester
| Molecular Formula | C20H37Cl3O2 |
|---|---|
| Molecular Weight | 414.19 g/mol |
| LogP | 10.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 414.1859 |
| Heavy Atoms | 25 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 35425-17-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | SHVKFBUBFSLWFV-UHFFFAOYSA-N |
Product Overview
Octadecyl trichloroacetate (CAS 35425-17-3), with molecular formula C20H37Cl3O2 and molecular weight 414.19 g/mol. IUPAC: octadecyl 2,2,2-trichloroacetate.
Chemical Property Profile of Octadecyl trichloroacetate
Property Insights of Octadecyl trichloroacetate
The XLogP value of 10.7 indicates that Octadecyl 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, Octadecyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl 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 Octadecyl trichloroacetate?
The CAS number of Octadecyl trichloroacetate is 35425-17-3.
What is the molecular formula of Octadecyl trichloroacetate?
The molecular formula of Octadecyl trichloroacetate is C20H37Cl3O2.
What is the molecular weight of Octadecyl trichloroacetate?
The molecular weight of Octadecyl trichloroacetate is 414.19 g/mol.
Where can I buy Octadecyl trichloroacetate?
You can request a quote for Octadecyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.