![3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone structure](/static/products/2578/257862-69-4.webp)
3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone
TL;DR: 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone (CAS 257862-69-4) is a chemical compound with molecular formula C16H22F3N3O and molecular weight 329.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
Also Known As: Maybridge3_006369, IDI1_017756, 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone, 3,3-dimethyl-1-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butan-1-one
| Molecular Formula | C16H22F3N3O |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 3.1852 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.1715 |
| Heavy Atoms | 23 |
| Complexity | 558.42426 |
Chemical Identifiers
| CAS Number | 257862-69-4 |
|---|---|
| SMILES | CC(C)(C)CC(=O)N1CCN(CC1)C2=NC=CC(=C2)C(F)(F)F |
Product Overview
3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone (CAS 257862-69-4), with molecular formula C16H22F3N3O and molecular weight 329.17 g/mol. IUPAC: 3,3-dimethyl-1-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one.
Chemical Property Profile of 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone
Property Insights of 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone
The XLogP value of 3.1852 indicates that 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone has 0 hydrogen bond donor(s) and 3 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 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone?
The CAS number of 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone is 257862-69-4.
What is the molecular formula of 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone?
The molecular formula of 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone is C16H22F3N3O.
What is the molecular weight of 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone?
The molecular weight of 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone is 329.17 g/mol.
Where can I buy 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone?
You can request a quote for 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-{4-[4-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.