Heptafluorobutyric acid, n-pentyl ester
TL;DR: Heptafluorobutyric acid, n-pentyl ester (CAS 425-26-3) is a chemical compound with molecular formula C9H11F7O2 and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Pentyl heptafluorobutanoate, Pentyl perfluorobutanoate, Heptafluorobutyric acid, n-pentyl ester, Butanoic acid, heptafluoro, pentyl ester, Pentyl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C9H11F7O2 |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 284.06473 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 425-26-3 |
|---|---|
| SMILES | CCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | RLAQTSYDDYVBHR-UHFFFAOYSA-N |
Product Overview
Heptafluorobutyric acid, n-pentyl ester (CAS 425-26-3), with molecular formula C9H11F7O2 and molecular weight 284.06 g/mol. IUPAC: pentyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Heptafluorobutyric acid, n-pentyl ester
Property Insights of Heptafluorobutyric acid, n-pentyl ester
The XLogP value of 4.4 indicates that Heptafluorobutyric acid, n-pentyl 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, n-pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutyric acid, n-pentyl 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, n-pentyl ester?
The CAS number of Heptafluorobutyric acid, n-pentyl ester is 425-26-3.
What is the molecular formula of Heptafluorobutyric acid, n-pentyl ester?
The molecular formula of Heptafluorobutyric acid, n-pentyl ester is C9H11F7O2.
What is the molecular weight of Heptafluorobutyric acid, n-pentyl ester?
The molecular weight of Heptafluorobutyric acid, n-pentyl ester is 284.06 g/mol.
Where can I buy Heptafluorobutyric acid, n-pentyl ester?
You can request a quote for Heptafluorobutyric acid, n-pentyl 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, n-pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptafluorobutyric acid, n-pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.