Heptafluorobutyric acid, 2-methylpropyl ester
TL;DR: Heptafluorobutyric acid, 2-methylpropyl ester (CAS 49669-71-8) 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.
2-methylpropyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Heptafluorobutyric acid, 2-methylpropyl ester, Heptafluorobutyric acid 2-methylpropyl ester, Isobutyl 2,2,3,3,4,4,4-heptafluorobutanoate, Isobutyl 2,2,3,3,4,4,4-heptafluorobutanoate #, 2-methylpropyl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C8H9F7O2 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 3.8 |
| 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 | 282.0 |
Chemical Identifiers
| CAS Number | 49669-71-8 |
|---|---|
| SMILES | CC(C)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | PTTNLWHRSGDGJX-UHFFFAOYSA-N |
Product Overview
Heptafluorobutyric acid, 2-methylpropyl ester (CAS 49669-71-8), with molecular formula C8H9F7O2 and molecular weight 270.05 g/mol. IUPAC: 2-methylpropyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Heptafluorobutyric acid, 2-methylpropyl ester
Property Insights of Heptafluorobutyric acid, 2-methylpropyl ester
The XLogP value of 3.8 indicates that Heptafluorobutyric acid, 2-methylpropyl 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-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutyric acid, 2-methylpropyl 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-methylpropyl ester?
The CAS number of Heptafluorobutyric acid, 2-methylpropyl ester is 49669-71-8.
What is the molecular formula of Heptafluorobutyric acid, 2-methylpropyl ester?
The molecular formula of Heptafluorobutyric acid, 2-methylpropyl ester is C8H9F7O2.
What is the molecular weight of Heptafluorobutyric acid, 2-methylpropyl ester?
The molecular weight of Heptafluorobutyric acid, 2-methylpropyl ester is 270.05 g/mol.
Where can I buy Heptafluorobutyric acid, 2-methylpropyl ester?
You can request a quote for Heptafluorobutyric acid, 2-methylpropyl 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-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptafluorobutyric acid, 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.