1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone
TL;DR: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone (CAS 403834-19-5) is a chemical compound with molecular formula C15H15N3OS and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone
Also Known As: BAS 06417258, 2-(pyrimidin-2-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-(pyrimidin-2-ylthio)ethanone, 1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(pyrimidin-2-ylsulfanyl)-ethanone
| Molecular Formula | C15H15N3OS |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | 2.5481 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0936 |
| Heavy Atoms | 20 |
| Complexity | 603.07745 |
Chemical Identifiers
| CAS Number | 403834-19-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=CC=N3 |
Product Overview
1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone (CAS 403834-19-5), with molecular formula C15H15N3OS and molecular weight 285.09 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone.
Chemical Property Profile of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone
Property Insights of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone
The XLogP value of 2.5481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone. With a topological polar surface area (TPSA) of 46.09 Ų, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone has 0 hydrogen bond donor(s) and 4 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-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone?
The CAS number of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone is 403834-19-5.
What is the molecular formula of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone?
The molecular formula of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone is C15H15N3OS.
What is the molecular weight of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone?
The molecular weight of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone is 285.09 g/mol.
Where can I buy 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone?
You can request a quote for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-pyrimidin-2-ylsulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.