Heptyl heptafluorobutanoate
TL;DR: Heptyl heptafluorobutanoate (CAS 866-19-3) is a chemical compound with molecular formula C11H15F7O2 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Heptyl heptafluorobutanoate, Heptafluorobutyric acid heptyl ester, Heptafluorobutyric acid, heptyl ester, Butanoic acid, heptafluoro, heptyl ester, heptyl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C11H15F7O2 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 4.3329 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 312.09604 |
| Heavy Atoms | 20 |
| Complexity | 312.38373 |
Chemical Identifiers
| CAS Number | 866-19-3 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
Heptyl heptafluorobutanoate (CAS 866-19-3), with molecular formula C11H15F7O2 and molecular weight 312.10 g/mol. IUPAC: heptyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Heptyl heptafluorobutanoate
Property Insights of Heptyl heptafluorobutanoate
The XLogP value of 4.3329 indicates that Heptyl 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, Heptyl heptafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 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 Heptyl heptafluorobutanoate?
The CAS number of Heptyl heptafluorobutanoate is 866-19-3.
What is the molecular formula of Heptyl heptafluorobutanoate?
The molecular formula of Heptyl heptafluorobutanoate is C11H15F7O2.
What is the molecular weight of Heptyl heptafluorobutanoate?
The molecular weight of Heptyl heptafluorobutanoate is 312.10 g/mol.
Where can I buy Heptyl heptafluorobutanoate?
You can request a quote for Heptyl heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.