1,5-Bis-(trifluoroacetoxy)-pentane
TL;DR: 1,5-Bis-(trifluoroacetoxy)-pentane (CAS 453-44-1) is a chemical compound with molecular formula C9H10F6O4 and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,2,2-trifluoroacetyl)oxypentyl 2,2,2-trifluoroacetate
Also Known As: 1,5-bis-(trifluoroacetoxy)-pentane, 1,5-Pentanediol di(trifluoroacetate), Bis(trifluoroacetic acid)1,5-pentanediyl, Bis(trifluoroacetic acid)pentamethylene ester, Acetic acid, trifluoro-, pentamethylene ester
| Molecular Formula | C9H10F6O4 |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.04834 |
| Heavy Atoms | 19 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 453-44-1 |
|---|---|
| SMILES | C(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F |
| InChIKey | DERGOIOGHQZVDF-UHFFFAOYSA-N |
Product Overview
1,5-Bis-(trifluoroacetoxy)-pentane (CAS 453-44-1), with molecular formula C9H10F6O4 and molecular weight 296.05 g/mol. IUPAC: 5-(2,2,2-trifluoroacetyl)oxypentyl 2,2,2-trifluoroacetate.
Chemical Property Profile of 1,5-Bis-(trifluoroacetoxy)-pentane
Property Insights of 1,5-Bis-(trifluoroacetoxy)-pentane
The XLogP value of 3.3 indicates that 1,5-Bis-(trifluoroacetoxy)-pentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,5-Bis-(trifluoroacetoxy)-pentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Bis-(trifluoroacetoxy)-pentane has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-Bis-(trifluoroacetoxy)-pentane?
The CAS number of 1,5-Bis-(trifluoroacetoxy)-pentane is 453-44-1.
What is the molecular formula of 1,5-Bis-(trifluoroacetoxy)-pentane?
The molecular formula of 1,5-Bis-(trifluoroacetoxy)-pentane is C9H10F6O4.
What is the molecular weight of 1,5-Bis-(trifluoroacetoxy)-pentane?
The molecular weight of 1,5-Bis-(trifluoroacetoxy)-pentane is 296.05 g/mol.
Where can I buy 1,5-Bis-(trifluoroacetoxy)-pentane?
You can request a quote for 1,5-Bis-(trifluoroacetoxy)-pentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Bis-(trifluoroacetoxy)-pentane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Bis-(trifluoroacetoxy)-pentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.