2-Octyl heptafluorobutanoate
TL;DR: 2-Octyl heptafluorobutanoate (CAS 560-01-0) 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.
octan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 2-Octyl heptafluorobutanoate, Octan-2-yl heptafluorobutanoate, 2-Octanol, heptafluorobutyrate, Butanoic acid, heptafluoro, 1-methylheptyl ester, octan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C12H17F7O2 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 4.7214 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.11166 |
| Heavy Atoms | 21 |
| Complexity | 338.98785 |
Chemical Identifiers
| CAS Number | 560-01-0 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
2-Octyl heptafluorobutanoate (CAS 560-01-0), with molecular formula C12H17F7O2 and molecular weight 326.11 g/mol. IUPAC: octan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of 2-Octyl heptafluorobutanoate
Property Insights of 2-Octyl heptafluorobutanoate
The XLogP value of 4.7214 indicates that 2-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, 2-Octyl heptafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Octyl heptafluorobutanoate?
The CAS number of 2-Octyl heptafluorobutanoate is 560-01-0.
What is the molecular formula of 2-Octyl heptafluorobutanoate?
The molecular formula of 2-Octyl heptafluorobutanoate is C12H17F7O2.
What is the molecular weight of 2-Octyl heptafluorobutanoate?
The molecular weight of 2-Octyl heptafluorobutanoate is 326.11 g/mol.
Where can I buy 2-Octyl heptafluorobutanoate?
You can request a quote for 2-Octyl heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octyl heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Octyl heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.