![3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine structure](/static/products/504/5049-89-8.png)
3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine
TL;DR: 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine (CAS 5049-89-8) is a chemical compound with molecular formula C20H25F3N4 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
Also Known As: 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine, 10-(1-piperidylmethyl)-8-[4-(trifluoromethyl)phenyl]-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene, 3-[(Piperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
| Molecular Formula | C20H25F3N4 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 4.6252 |
| Topological Polar Surface Area | 33.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.20312 |
| Heavy Atoms | 27 |
| Complexity | 773.7599 |
Chemical Identifiers
| CAS Number | 5049-89-8 |
|---|---|
| SMILES | C1CCN(CC1)CC2=NN(C3=C2CCCCN3)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine (CAS 5049-89-8), with molecular formula C20H25F3N4 and molecular weight 378.20 g/mol. IUPAC: 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine.
Chemical Property Profile of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine
Property Insights of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine
The XLogP value of 4.6252 indicates that 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.09 Ų, 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine has 1 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-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine?
The CAS number of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine is 5049-89-8.
What is the molecular formula of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine?
The molecular formula of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine is C20H25F3N4.
What is the molecular weight of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine?
The molecular weight of 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine is 378.20 g/mol.
Where can I buy 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine?
You can request a quote for 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.