3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone
TL;DR: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone (CAS 831206-04-3) is a chemical compound with molecular formula C17H17NOS and molecular weight 283.10 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-(2-methylsulfanylphenyl)methanone
Also Known As: 2-[2-(methylthio)benzoyl]-1,2,3,4-tetrahydroisoquinoline, 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone, 3,4-dihydroisoquinolin-2(1H)-yl[2-(methylsulfanyl)phenyl]methanone
| Molecular Formula | C17H17NOS |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 3.607 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.1031 |
| Heavy Atoms | 20 |
| Complexity | 638.3921 |
Chemical Identifiers
| CAS Number | 831206-04-3 |
|---|---|
| SMILES | CSC1=CC=CC=C1C(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone (CAS 831206-04-3), with molecular formula C17H17NOS and molecular weight 283.10 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone.
Chemical Property Profile of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone
Property Insights of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone
The XLogP value of 3.607 indicates that 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone has 0 hydrogen bond donor(s) and 2 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-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone?
The CAS number of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone is 831206-04-3.
What is the molecular formula of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone?
The molecular formula of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone is C17H17NOS.
What is the molecular weight of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone?
The molecular weight of 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone is 283.10 g/mol.
Where can I buy 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone?
You can request a quote for 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)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-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.