Octyl heptafluorobutanoate
TL;DR: Octyl heptafluorobutanoate (CAS 1650-36-8) is a chemical compound with molecular formula C12H17F7O2 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Octyl heptafluorobutanoate, Octyl heptafluorobutyrate, Heptafluorobutyric acid, octyl ester, Butanoic acid, heptafluoro, octyl ester, octyl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C12H17F7O2 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 4.723 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.11166 |
| Heavy Atoms | 21 |
| Complexity | 326.05786 |
Chemical Identifiers
| CAS Number | 1650-36-8 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
Octyl heptafluorobutanoate (CAS 1650-36-8), with molecular formula C12H17F7O2 and molecular weight 326.11 g/mol. IUPAC: octyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Octyl heptafluorobutanoate
Property Insights of Octyl heptafluorobutanoate
The XLogP value of 4.723 indicates that Octyl 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, Octyl heptafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl heptafluorobutanoate has 0 hydrogen bond donor(s) and 2 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 Octyl heptafluorobutanoate?
The CAS number of Octyl heptafluorobutanoate is 1650-36-8.
What is the molecular formula of Octyl heptafluorobutanoate?
The molecular formula of Octyl heptafluorobutanoate is C12H17F7O2.
What is the molecular weight of Octyl heptafluorobutanoate?
The molecular weight of Octyl heptafluorobutanoate is 326.11 g/mol.
Where can I buy Octyl heptafluorobutanoate?
You can request a quote for Octyl heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.