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2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline (CAS 443658-18-2) is a chemical compound with molecular formula C16H16N2OS and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-2-ylsulfanylethanone
Also Known As: 2-[(pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline, BAS 05590356, AJ-292/41686017, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-2-ylsulfanylethanone, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-2-ylthio)ethanone
| Molecular Formula | C16H16N2OS |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 2.7586 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.09833 |
| Heavy Atoms | 20 |
| Complexity | 600.43567 |
Chemical Identifiers
| CAS Number | 443658-18-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSC3=CC=CC=N3 |
Product Overview
2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline (CAS 443658-18-2), with molecular formula C16H16N2OS and molecular weight 284.10 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-2-ylsulfanylethanone.
Chemical Property Profile of 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.7586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 33.2 Ų, 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline has 0 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-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline is 443658-18-2.
What is the molecular formula of 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline is C16H16N2OS.
What is the molecular weight of 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline is 284.10 g/mol.
Where can I buy 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Pyridin-2-ylsulfanyl)acetyl]-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.