1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione
TL;DR: 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione (CAS 326-07-8) is a chemical compound with molecular formula C10H4BrF7O2S and molecular weight 399.90036 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione
Also Known As: KST-1B3714, 4-fluoro-N-(4-iodophenyl)benzamide, 1-(5-bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione, 1,3-Hexanedione,1-(5-bromo-2-thienyl)-4,4,5,5,6,6,6-heptafluoro-, 1-(5-bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H4BrF7O2S |
| Molecular Weight | 399.90036 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.90036 Da |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
| SMILES | C1=C(SC(=C1)Br)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | GMRONWZVBITWAM-UHFFFAOYSA-N |
Product Description
Applications: 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione is a organic building block identified by CAS number 326-07-8 and the molecular formula C10H4BrF7O2S and a molecular weight of 399.9 g/mol. Synonyms include KST-1B3714 and 4-fluoro-N-(4-iodophenyl)benzamide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione
Property Insights of 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione
The XLogP value of 5.0 indicates that 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione 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-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione. Following Lipinski's Rule of Five, 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione 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
What is the CAS number of 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione?
The CAS number of 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione is 326-07-8.
What is the molecular formula of 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione?
The molecular formula of 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione is C10H4BrF7O2S.
What is the molecular weight of 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione?
The molecular weight of 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione is 399.90036 g/mol.
What are the applications of 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione?
1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for...
Where can I buy 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione?
You can request a quote for 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.