3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one
TL;DR: 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one (CAS 6541-62-4) is a chemical compound with molecular formula C11H15BrF3NO and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one
Also Known As: 3-bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one
| Molecular Formula | C11H15BrF3NO |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 3.332 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.0289 |
| Heavy Atoms | 17 |
| Complexity | 317.16846 |
Chemical Identifiers
| CAS Number | 6541-62-4 |
|---|---|
| SMILES | CC1CC(CN(C1)C=C(C(=O)C(F)(F)F)Br)C |
Product Overview
3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one (CAS 6541-62-4), with molecular formula C11H15BrF3NO and molecular weight 313.03 g/mol. IUPAC: 3-bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one
Property Insights of 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 3.332 indicates that 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one has 0 hydrogen bond donor(s) and 2 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 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one?
The CAS number of 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one is 6541-62-4.
What is the molecular formula of 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one is C11H15BrF3NO.
What is the molecular weight of 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one is 313.03 g/mol.
Where can I buy 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-(3,5-dimethylpiperidin-1-yl)-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.