Heptafluorobutyric acid, 2-butyl ester
TL;DR: Heptafluorobutyric acid, 2-butyl ester (CAS 755-66-8) is a chemical compound with molecular formula C8H9F7O2 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Heptafluorobutyric acid, 2-butyl ester, Heptafluorobutyric acid 2-butyl ester, butan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate, Sec-butyl 2,2,3,3,4,4,4-heptafluorobutanoate #
| Molecular Formula | C8H9F7O2 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.04907 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 755-66-8 |
|---|---|
| SMILES | CCC(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | SHORMFSCBZUGOT-UHFFFAOYSA-N |
Product Overview
Heptafluorobutyric acid, 2-butyl ester (CAS 755-66-8), with molecular formula C8H9F7O2 and molecular weight 270.05 g/mol. IUPAC: butan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Heptafluorobutyric acid, 2-butyl ester
Property Insights of Heptafluorobutyric acid, 2-butyl ester
The XLogP value of 3.9 indicates that Heptafluorobutyric acid, 2-butyl 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, 2-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutyric acid, 2-butyl 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, 2-butyl ester?
The CAS number of Heptafluorobutyric acid, 2-butyl ester is 755-66-8.
What is the molecular formula of Heptafluorobutyric acid, 2-butyl ester?
The molecular formula of Heptafluorobutyric acid, 2-butyl ester is C8H9F7O2.
What is the molecular weight of Heptafluorobutyric acid, 2-butyl ester?
The molecular weight of Heptafluorobutyric acid, 2-butyl ester is 270.05 g/mol.
Where can I buy Heptafluorobutyric acid, 2-butyl ester?
You can request a quote for Heptafluorobutyric acid, 2-butyl 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, 2-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptafluorobutyric acid, 2-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.