Tridecyl trichloroacetate
TL;DR: Tridecyl trichloroacetate (CAS 74339-51-8) is a chemical compound with molecular formula C15H27Cl3O2 and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tridecyl 2,2,2-trichloroacetate
Also Known As: Tridecyl trichloroacetate, Tridecyl trichloroacetate #, tridecyl 2,2,2-trichloroacetate, Trichloroacetic acid, tridecyl ester, Trichloroacetic acid,tridecyl ester
| Molecular Formula | C15H27Cl3O2 |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 344.10767 |
| Heavy Atoms | 20 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 74339-51-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | IVESCNMAOKRZNG-UHFFFAOYSA-N |
Product Overview
Tridecyl trichloroacetate (CAS 74339-51-8), with molecular formula C15H27Cl3O2 and molecular weight 344.11 g/mol. IUPAC: tridecyl 2,2,2-trichloroacetate.
Chemical Property Profile of Tridecyl trichloroacetate
Property Insights of Tridecyl trichloroacetate
The XLogP value of 8.0 indicates that Tridecyl 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, Tridecyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tridecyl 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 Tridecyl trichloroacetate?
The CAS number of Tridecyl trichloroacetate is 74339-51-8.
What is the molecular formula of Tridecyl trichloroacetate?
The molecular formula of Tridecyl trichloroacetate is C15H27Cl3O2.
What is the molecular weight of Tridecyl trichloroacetate?
The molecular weight of Tridecyl trichloroacetate is 344.11 g/mol.
Where can I buy Tridecyl trichloroacetate?
You can request a quote for Tridecyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tridecyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Tridecyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.