Hexyl heptafluorobutanoate
TL;DR: Hexyl heptafluorobutanoate (CAS 336-65-2) is a chemical compound with molecular formula C10H13F7O2 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Hexyl heptafluorobutanoate, Hexyl perfluorobutyrate, Hexyl heptafluorobutyrate, Hexyl perfluorobutanoate, 1-Hexanol, heptafluorobutyrate
| Molecular Formula | C10H13F7O2 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.08038 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 336-65-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | UCZXOGFHGJONAJ-UHFFFAOYSA-N |
Product Overview
Hexyl heptafluorobutanoate (CAS 336-65-2), with molecular formula C10H13F7O2 and molecular weight 298.08 g/mol. IUPAC: hexyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Hexyl heptafluorobutanoate
Property Insights of Hexyl heptafluorobutanoate
The XLogP value of 4.9 indicates that Hexyl heptafluorobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl heptafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl heptafluorobutanoate 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 Hexyl heptafluorobutanoate?
The CAS number of Hexyl heptafluorobutanoate is 336-65-2.
What is the molecular formula of Hexyl heptafluorobutanoate?
The molecular formula of Hexyl heptafluorobutanoate is C10H13F7O2.
What is the molecular weight of Hexyl heptafluorobutanoate?
The molecular weight of Hexyl heptafluorobutanoate is 298.08 g/mol.
Where can I buy Hexyl heptafluorobutanoate?
You can request a quote for Hexyl heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.