1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
TL;DR: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone (CAS 876529-75-8) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 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-methylbenzimidazol-2-yl)sulfanylethanone
Also Known As: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone, 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzoimidazol-2-yl)sulfanyl-ethanone, 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)ethanone, 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.2675 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 1031.1528 |
Chemical Identifiers
| CAS Number | 876529-75-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC |
Product Overview
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone (CAS 876529-75-8), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone.
Chemical Property Profile of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
Property Insights of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
The XLogP value of 3.2675 indicates that 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone 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-methylbenzimidazol-2-yl)sulfanylethanone has 0 hydrogen bond donor(s) and 5 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-methylbenzimidazol-2-yl)sulfanylethanone?
The CAS number of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone is 876529-75-8.
What is the molecular formula of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone?
The molecular formula of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone is C21H23N3O3S.
What is the molecular weight of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone?
The molecular weight of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone is 397.15 g/mol.
Where can I buy 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone?
You can request a quote for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone 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-methylbenzimidazol-2-yl)sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.