1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione
TL;DR: 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione (CAS 326-71-6) is a chemical compound with molecular formula C8H4BrF3O2S and molecular weight 299.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione
Also Known As: 1-(5-bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione, 5-bromothenoyltrifluoroacetone, KST-1B3720, 5-bromo-2-thienoyl-trifluoroacetone, 2(1H)-Naphthalenone,5-bromo-3,4-dihydro
| Molecular Formula | C8H4BrF3O2S |
|---|---|
| Molecular Weight | 299.91 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.90674 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 326-71-6 |
|---|---|
| SMILES | C1=C(SC(=C1)Br)C(=O)CC(=O)C(F)(F)F |
| InChIKey | WARMYUHRJCPHQC-UHFFFAOYSA-N |
Product Overview
1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione (CAS 326-71-6), with molecular formula C8H4BrF3O2S and molecular weight 299.91 g/mol. IUPAC: 1-(5-bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione.
Chemical Property Profile of 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione
Property Insights of 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione
The XLogP value of 3.6 indicates that 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-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)-4,4,4-trifluorobutane-1,3-dione. Following Lipinski's Rule of Five, 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione has 0 hydrogen bond donor(s) and 6 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-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione?
The CAS number of 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione is 326-71-6.
What is the molecular formula of 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione?
The molecular formula of 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione is C8H4BrF3O2S.
What is the molecular weight of 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione?
The molecular weight of 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione is 299.91 g/mol.
Where can I buy 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione?
You can request a quote for 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.