Tridecyl trifluoroacetate
TL;DR: Tridecyl trifluoroacetate (CAS 53800-02-5) is a chemical compound with molecular formula C15H27F3O2 and molecular weight 296.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tridecyl 2,2,2-trifluoroacetate
Also Known As: Tridecyl trifluoroacetate, Tridecyl trifluoroacetate #, tridecyl 2,2,2-trifluoroacetate, 1-Tridecanol, trifluoroacetate, Trifluoroacetic acid,n-tridecyl ester
| Molecular Formula | C15H27F3O2 |
|---|---|
| Molecular Weight | 296.20 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 296.19632 |
| Heavy Atoms | 20 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 53800-02-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)C(F)(F)F |
| InChIKey | DKWJQENYIDPCEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tridecyl trifluoroacetate (CAS 53800-02-5), with molecular formula C15H27F3O2 and molecular weight 296.20 g/mol. IUPAC: tridecyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Tridecyl trifluoroacetate
Property Insights of Tridecyl trifluoroacetate
The XLogP value of 7.2 indicates that Tridecyl trifluoroacetate 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 trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tridecyl trifluoroacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tridecyl trifluoroacetate?
The CAS number of Tridecyl trifluoroacetate is 53800-02-5.
What is the molecular formula of Tridecyl trifluoroacetate?
The molecular formula of Tridecyl trifluoroacetate is C15H27F3O2.
What is the molecular weight of Tridecyl trifluoroacetate?
The molecular weight of Tridecyl trifluoroacetate is 296.20 g/mol.
Where can I buy Tridecyl trifluoroacetate?
You can request a quote for Tridecyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tridecyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Tridecyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.