2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate
TL;DR: 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate (CAS 688-00-6) is a chemical compound with molecular formula C10H12F6O4 and molecular weight 310.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-1,1,1,6,6,6-hexafluorohexan-2-yl) acetate
Also Known As: 2,5-diacetoxy-1,1,1,6,6,6-hexafluoro-hexane, 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate, (5-acetyloxy-1,1,1,6,6,6-hexafluorohexan-2-yl) acetate, 4-(Acetyloxy)-5,5,5-trifluoro-1-(trifluoromethyl)pentyl acetate, 4-(Acetyloxy)-5,5,5-trifluoro-1-(trifluoromethyl)pentyl acetate #
| Molecular Formula | C10H12F6O4 |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.06396 |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 688-00-6 |
|---|---|
| SMILES | CC(=O)OC(CCC(C(F)(F)F)OC(=O)C)C(F)(F)F |
| InChIKey | WVBJSXSOADPNSH-UHFFFAOYSA-N |
Product Overview
2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate (CAS 688-00-6), with molecular formula C10H12F6O4 and molecular weight 310.06 g/mol. IUPAC: (5-acetyloxy-1,1,1,6,6,6-hexafluorohexan-2-yl) acetate.
Chemical Property Profile of 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate
Property Insights of 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate
The XLogP value of 3.1 indicates that 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate 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 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate?
The CAS number of 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate is 688-00-6.
What is the molecular formula of 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate?
The molecular formula of 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate is C10H12F6O4.
What is the molecular weight of 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate?
The molecular weight of 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate is 310.06 g/mol.
Where can I buy 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate?
You can request a quote for 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Hexanediol, 1,1,1,6,6,6-hexafluoro-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.