Undecyl trichloroacetate
TL;DR: Undecyl trichloroacetate (CAS 74339-49-4) is a chemical compound with molecular formula C13H23Cl3O2 and molecular weight 316.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecyl 2,2,2-trichloroacetate
Also Known As: Undecyl trichloroacetate, Undecyl trichloroacetate #, Trichloroacetic acid, undecyl ester, undecyl 2,2,2-trichloroacetate, TRICHLOROACETIC ACID UNDECYL ESTER(C11)
| Molecular Formula | C13H23Cl3O2 |
|---|---|
| Molecular Weight | 316.08 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 316.07635 |
| Heavy Atoms | 18 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 74339-49-4 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | ZKEYPXQCWNXAQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Undecyl trichloroacetate (CAS 74339-49-4), with molecular formula C13H23Cl3O2 and molecular weight 316.08 g/mol. IUPAC: undecyl 2,2,2-trichloroacetate.
Chemical Property Profile of Undecyl trichloroacetate
Property Insights of Undecyl trichloroacetate
The XLogP value of 6.9 indicates that Undecyl 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, Undecyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecyl 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 Undecyl trichloroacetate?
The CAS number of Undecyl trichloroacetate is 74339-49-4.
What is the molecular formula of Undecyl trichloroacetate?
The molecular formula of Undecyl trichloroacetate is C13H23Cl3O2.
What is the molecular weight of Undecyl trichloroacetate?
The molecular weight of Undecyl trichloroacetate is 316.08 g/mol.
Where can I buy Undecyl trichloroacetate?
You can request a quote for Undecyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Undecyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.