![3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone structure](/static/products/4449/444904-86-3.webp)
3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
TL;DR: 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone (CAS 444904-86-3) is a chemical compound with molecular formula C23H21F3N4O and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isoquinolin-2-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
Also Known As: 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone, (3,4-dihydroisoquinolin-2(1H)-yl)(5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone, 2-{[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline, 3,4-dihydro-1H-isoquinolin-2-yl-[5-phenyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone, 5-phenyl-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroin-3- yl) 2-1,2,3,4-tetrahydroisoquinolyl ketone
| Molecular Formula | C23H21F3N4O |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 4.7419 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.16675 |
| Heavy Atoms | 31 |
| Complexity | 1109.5094 |
Chemical Identifiers
| CAS Number | 444904-86-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)C3=C4NC(CC(N4N=C3)C(F)(F)F)C5=CC=CC=C5 |
Product Overview
3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone (CAS 444904-86-3), with molecular formula C23H21F3N4O and molecular weight 426.17 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone.
Chemical Property Profile of 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
Property Insights of 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
The XLogP value of 4.7419 indicates that 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.16 Ų, 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone 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 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The CAS number of 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone is 444904-86-3.
What is the molecular formula of 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The molecular formula of 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone is C23H21F3N4O.
What is the molecular weight of 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The molecular weight of 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone is 426.17 g/mol.
Where can I buy 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone?
You can request a quote for 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.