Heptafluorobutyric acid, isohexyl ester
TL;DR: Heptafluorobutyric acid, isohexyl ester (CAS 959260-58-3) 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.
4-methylpentyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 4-methylpentyl heptafluorobutanoate, Heptafluorobutyric acid isohexyl ester, Heptafluorobutyric acid, isohexyl ester, Heptafluorobutyric acid, 4-methylpentyl ester, 4-Methylpentyl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C10H13F7O2 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.08038 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 959260-58-3 |
|---|---|
| SMILES | CC(C)CCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | MCNIOSBJMHFSLJ-UHFFFAOYSA-N |
Product Overview
Heptafluorobutyric acid, isohexyl ester (CAS 959260-58-3), with molecular formula C10H13F7O2 and molecular weight 298.08 g/mol. IUPAC: 4-methylpentyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Heptafluorobutyric acid, isohexyl ester
Property Insights of Heptafluorobutyric acid, isohexyl ester
The XLogP value of 4.6 indicates that Heptafluorobutyric acid, isohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptafluorobutyric acid, isohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutyric acid, isohexyl ester 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 Heptafluorobutyric acid, isohexyl ester?
The CAS number of Heptafluorobutyric acid, isohexyl ester is 959260-58-3.
What is the molecular formula of Heptafluorobutyric acid, isohexyl ester?
The molecular formula of Heptafluorobutyric acid, isohexyl ester is C10H13F7O2.
What is the molecular weight of Heptafluorobutyric acid, isohexyl ester?
The molecular weight of Heptafluorobutyric acid, isohexyl ester is 298.08 g/mol.
Where can I buy Heptafluorobutyric acid, isohexyl ester?
You can request a quote for Heptafluorobutyric acid, isohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptafluorobutyric acid, isohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptafluorobutyric acid, isohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.