2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
TL;DR: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 380170-09-2) is a chemical compound with molecular formula C18H17N3OS and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: BAS 05590365, 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 2-benzimidazol-2-ylthio-1-(2-1,2,3,4-tetrahydroisoquinolyl)ethan-1-one, 2-((1H-benzo[d]imidazol-2-yl)thio)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
| Molecular Formula | C18H17N3OS |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 3.2399 |
| Topological Polar Surface Area | 48.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.10922 |
| Heavy Atoms | 23 |
| Complexity | 825.1038 |
Chemical Identifiers
| CAS Number | 380170-09-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4N3 |
Product Overview
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 380170-09-2), with molecular formula C18H17N3OS and molecular weight 323.11 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Property Insights of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
The XLogP value of 3.2399 indicates that 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.99 Ų, 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone 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 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The CAS number of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 380170-09-2.
What is the molecular formula of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The molecular formula of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone is C18H17N3OS.
What is the molecular weight of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The molecular weight of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 323.11 g/mol.
Where can I buy 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
You can request a quote for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.