Dodecyl trichloroacetate
TL;DR: Dodecyl trichloroacetate (CAS 74339-50-7) is a chemical compound with molecular formula C14H25Cl3O2 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 2,2,2-trichloroacetate
Also Known As: Dodecyl trichloroacetate, dodecyl 2,2,2-trichloroacetate, n-dodecyltrichloroacetate, Dodecyl trichloroacetate #, Trichloroacetic acid, dodecyl ester
| Molecular Formula | C14H25Cl3O2 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 330.092 |
| Heavy Atoms | 19 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 74339-50-7 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | LFBVFMYQESVNJY-UHFFFAOYSA-N |
Product Overview
Dodecyl trichloroacetate (CAS 74339-50-7), with molecular formula C14H25Cl3O2 and molecular weight 330.09 g/mol. IUPAC: dodecyl 2,2,2-trichloroacetate.
Chemical Property Profile of Dodecyl trichloroacetate
Property Insights of Dodecyl trichloroacetate
The XLogP value of 7.4 indicates that Dodecyl 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, Dodecyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl 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 Dodecyl trichloroacetate?
The CAS number of Dodecyl trichloroacetate is 74339-50-7.
What is the molecular formula of Dodecyl trichloroacetate?
The molecular formula of Dodecyl trichloroacetate is C14H25Cl3O2.
What is the molecular weight of Dodecyl trichloroacetate?
The molecular weight of Dodecyl trichloroacetate is 330.09 g/mol.
Where can I buy Dodecyl trichloroacetate?
You can request a quote for Dodecyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.