4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate
TL;DR: 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate (CAS 3108-05-2) is a chemical compound with molecular formula C8H8F7IO2 and molecular weight 395.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4,5,5,6,6,6-heptafluoro-2-iodohexyl) acetate
Also Known As: 3-(Perfluoropropyl)-2-iodopropanol acetate, 4,4,5,5,6,6,6-Heptafluoro-2-iodohexyl acetate, 1-HEXANOL, 4,4,5,5,6,6,6-HEPTAFLUORO-2-IODO-, ACETATE, 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate, 4,5,5,6,6,6-Heptafluoro-2-iodohexyl acetate
| Molecular Formula | C8H8F7IO2 |
|---|---|
| Molecular Weight | 395.95 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.9457 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 3108-05-2 |
|---|---|
| SMILES | CC(=O)OCC(CC(C(C(F)(F)F)(F)F)(F)F)I |
| InChIKey | TYWLMXXVTNXETF-UHFFFAOYSA-N |
Product Overview
4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate (CAS 3108-05-2), with molecular formula C8H8F7IO2 and molecular weight 395.95 g/mol. IUPAC: (4,4,5,5,6,6,6-heptafluoro-2-iodohexyl) acetate.
Chemical Property Profile of 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate
Property Insights of 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate
The XLogP value of 3.9 indicates that 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate has 0 hydrogen bond donor(s) and 9 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 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate?
The CAS number of 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate is 3108-05-2.
What is the molecular formula of 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate?
The molecular formula of 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate is C8H8F7IO2.
What is the molecular weight of 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate?
The molecular weight of 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate is 395.95 g/mol.
Where can I buy 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate?
You can request a quote for 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate?
Yes, KEHONG BIO provides custom synthesis services for 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.