1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-
TL;DR: 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- (CAS 559-94-4) is a chemical compound with molecular formula C10H5F7O2S and molecular weight 321.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5,5,6,6,6-heptafluoro-1-thiophen-2-ylhexane-1,3-dione
Also Known As: 4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione, Perfluorobutyryl-(2-thenoyl)methane, 2-Thenoylperfluorobutyrylmethane, (Perfluorobutyryl)-2-thenoylmethane, 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-
| Molecular Formula | C10H5F7O2S |
|---|---|
| Molecular Weight | 321.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.98984 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 559-94-4 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | QHOQGOZSTQAYRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- (CAS 559-94-4), with molecular formula C10H5F7O2S and molecular weight 321.99 g/mol. IUPAC: 4,4,5,5,6,6,6-heptafluoro-1-thiophen-2-ylhexane-1,3-dione.
Chemical Property Profile of 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-
Property Insights of 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-
The XLogP value of 3.9 indicates that 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-. Following Lipinski's Rule of Five, 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- has 0 hydrogen bond donor(s) and 10 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 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-?
The CAS number of 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- is 559-94-4.
What is the molecular formula of 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-?
The molecular formula of 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- is C10H5F7O2S.
What is the molecular weight of 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-?
The molecular weight of 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- is 321.99 g/mol.
Where can I buy 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-?
You can request a quote for 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.