2-Trifluoroacetoxypentadecane
TL;DR: 2-Trifluoroacetoxypentadecane (CAS 959258-29-8) is a chemical compound with molecular formula C17H31F3O2 and molecular weight 324.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentadecan-2-yl 2,2,2-trifluoroacetate
Also Known As: 2-Trifluoroacetoxypentadecane, Pentadecan-2-yl trifluoroacetate, 1-Methyltetradecyl trifluoroacetate #, pentadecan-2-yl 2,2,2-trifluoroacetate, RefChem:267404
| Molecular Formula | C17H31F3O2 |
|---|---|
| Molecular Weight | 324.23 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 324.2276 |
| Heavy Atoms | 22 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 959258-29-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(C)OC(=O)C(F)(F)F |
| InChIKey | WXHUZOPRFWGWKP-UHFFFAOYSA-N |
Product Overview
2-Trifluoroacetoxypentadecane (CAS 959258-29-8), with molecular formula C17H31F3O2 and molecular weight 324.23 g/mol. IUPAC: pentadecan-2-yl 2,2,2-trifluoroacetate.
Chemical Property Profile of 2-Trifluoroacetoxypentadecane
Property Insights of 2-Trifluoroacetoxypentadecane
The XLogP value of 8.3 indicates that 2-Trifluoroacetoxypentadecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Trifluoroacetoxypentadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Trifluoroacetoxypentadecane 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 2-Trifluoroacetoxypentadecane?
The CAS number of 2-Trifluoroacetoxypentadecane is 959258-29-8.
What is the molecular formula of 2-Trifluoroacetoxypentadecane?
The molecular formula of 2-Trifluoroacetoxypentadecane is C17H31F3O2.
What is the molecular weight of 2-Trifluoroacetoxypentadecane?
The molecular weight of 2-Trifluoroacetoxypentadecane is 324.23 g/mol.
Where can I buy 2-Trifluoroacetoxypentadecane?
You can request a quote for 2-Trifluoroacetoxypentadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Trifluoroacetoxypentadecane?
Yes, KEHONG BIO provides custom synthesis services for 2-Trifluoroacetoxypentadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.