![1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone structure](/static/products/902/902331-46-8.png)
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone
TL;DR: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone (CAS 902331-46-8) is a chemical compound with molecular formula C23H25N3O3S2 and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone, 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-((5-thioxo-1-(o-tolyl)-4,5-dihydro-1H-pyrazol-3-yl)thio)ethanone, 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-{[1-(2-methylphenyl)-5-thioxo-4,5-dihydro-1H-pyrazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C23H25N3O3S2 |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 4.18132 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.13373 |
| Heavy Atoms | 31 |
| Complexity | 1054.3574 |
Chemical Identifiers
| CAS Number | 902331-46-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=S)CC(=N2)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC |
Product Overview
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone (CAS 902331-46-8), with molecular formula C23H25N3O3S2 and molecular weight 455.13 g/mol. IUPAC: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone
Property Insights of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone
The XLogP value of 4.18132 indicates that 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone has 0 hydrogen bond donor(s) and 6 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 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone?
The CAS number of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone is 902331-46-8.
What is the molecular formula of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone?
The molecular formula of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone is C23H25N3O3S2.
What is the molecular weight of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone?
The molecular weight of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone is 455.13 g/mol.
Where can I buy 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone?
You can request a quote for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-methylphenyl)-5-sulfanylidene-4H-pyrazol-3-yl]sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.