Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester
TL;DR: Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester (CAS 351004-26-7) is a chemical compound with molecular formula C12H11F9O6 and molecular weight 422.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-bis[(2,2,2-trifluoroacetyl)oxy]hexyl 2,2,2-trifluoroacetate
Also Known As: TRIFLUORO-ACETIC ACID 2,6-BIS-TRIFLUOROACETOXY-HEXYL ESTER, 5,6-bis[(2,2,2-trifluoroacetyl)oxy]hexyl 2,2,2-trifluoroacetate
| Molecular Formula | C12H11F9O6 |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 2.8418 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.0412 |
| Heavy Atoms | 27 |
| Complexity | 522.92535 |
Chemical Identifiers
| CAS Number | 351004-26-7 |
|---|---|
| SMILES | C(CCOC(=O)C(F)(F)F)CC(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F |
Product Overview
Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester (CAS 351004-26-7), with molecular formula C12H11F9O6 and molecular weight 422.04 g/mol. IUPAC: 5,6-bis[(2,2,2-trifluoroacetyl)oxy]hexyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester
Property Insights of Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester
The XLogP value of 2.8418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester. Following Lipinski's Rule of Five, Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester has 0 hydrogen bond donor(s) and 6 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 Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester?
The CAS number of Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester is 351004-26-7.
What is the molecular formula of Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester?
The molecular formula of Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester is C12H11F9O6.
What is the molecular weight of Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester?
The molecular weight of Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester is 422.04 g/mol.
Where can I buy Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester?
You can request a quote for Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Trifluoro-acetic acid 2,6-bis-trifluoroacetoxy-hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.