![(3,4-dihydroisoquinolin-2(1H)-yl)(5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone structure](/static/products/831/831230-43-4.png)
(3,4-dihydroisoquinolin-2(1H)-yl)(5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
TL;DR: (3,4-dihydroisoquinolin-2(1H)-yl)(5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone (CAS 831230-43-4) is a chemical compound with molecular formula C21H19F3N4OS and molecular weight 432.12 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-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
Also Known As: (3,4-dihydroisoquinolin-2(1H)-yl)(5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone, 3,4-dihydroisoquinolin-2(1H)-yl[5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone, 2-1,2,3,4-tetrahydroisoquinolyl 5-(2-thienyl)-7-(trifluoromethyl)(4H,5H,6H,7H- pyrazolo[1,5-a]1,3-diazaperhydroin-3-yl) ketone, 3,4-dihydro-1H-isoquinolin-2-yl-[5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
| Molecular Formula | C21H19F3N4OS |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 4.8034 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.12317 |
| Heavy Atoms | 30 |
| Complexity | 1076.3645 |
Chemical Identifiers
| CAS Number | 831230-43-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)C3=C4NC(CC(N4N=C3)C(F)(F)F)C5=CC=CS5 |
Product Overview
(3,4-dihydroisoquinolin-2(1H)-yl)(5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone (CAS 831230-43-4), with molecular formula C21H19F3N4OS and molecular weight 432.12 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-[5-thiophen-2-yl-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-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
Property Insights of (3,4-dihydroisoquinolin-2(1H)-yl)(5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
The XLogP value of 4.8034 indicates that (3,4-dihydroisoquinolin-2(1H)-yl)(5-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone has 1 hydrogen bond donor(s) and 4 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-(thiophen-2-yl)-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-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone is 831230-43-4.
What is the molecular formula of (3,4-dihydroisoquinolin-2(1H)-yl)(5-(thiophen-2-yl)-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-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone is C21H19F3N4OS.
What is the molecular weight of (3,4-dihydroisoquinolin-2(1H)-yl)(5-(thiophen-2-yl)-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-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone is 432.12 g/mol.
Where can I buy (3,4-dihydroisoquinolin-2(1H)-yl)(5-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-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.