Heptafluorobutyric acid, isopropyl ester
TL;DR: Heptafluorobutyric acid, isopropyl ester (CAS 425-23-0) is a chemical compound with molecular formula C7H7F7O2 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Heptafluorobutyric acid, isopropyl ester, Perfluorobutanoic acid 1-methylethyl ester, Butanoic acid, heptafluoro-, 1-methylethyl ester, Isopropyl 2,2,3,3,4,4,4-heptafluorobutanoate #, propan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C7H7F7O2 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.03342 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 425-23-0 |
|---|---|
| SMILES | CC(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | NTGPCGNHKAKTAI-UHFFFAOYSA-N |
Product Overview
Heptafluorobutyric acid, isopropyl ester (CAS 425-23-0), with molecular formula C7H7F7O2 and molecular weight 256.03 g/mol. IUPAC: propan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Heptafluorobutyric acid, isopropyl ester
Property Insights of Heptafluorobutyric acid, isopropyl ester
The XLogP value of 3.4 indicates that Heptafluorobutyric acid, isopropyl 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, isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutyric acid, isopropyl 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, isopropyl ester?
The CAS number of Heptafluorobutyric acid, isopropyl ester is 425-23-0.
What is the molecular formula of Heptafluorobutyric acid, isopropyl ester?
The molecular formula of Heptafluorobutyric acid, isopropyl ester is C7H7F7O2.
What is the molecular weight of Heptafluorobutyric acid, isopropyl ester?
The molecular weight of Heptafluorobutyric acid, isopropyl ester is 256.03 g/mol.
Where can I buy Heptafluorobutyric acid, isopropyl ester?
You can request a quote for Heptafluorobutyric acid, isopropyl 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, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptafluorobutyric acid, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.