![2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol structure](/static/products/4598/459804-26-3.webp)
2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol
TL;DR: 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol (CAS 459804-26-3) is a chemical compound with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
Also Known As: CBKinase1_002737, CBKinase1_015137, 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol, BRD-K05121749-001-01-8, 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
| Molecular Formula | C15H15N3O2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 1.8414 |
| Topological Polar Surface Area | 66.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0885 |
| Heavy Atoms | 21 |
| Complexity | 713.81494 |
Chemical Identifiers
| CAS Number | 459804-26-3 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=CC(=O)N3 |
Product Overview
2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol (CAS 459804-26-3), with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol. IUPAC: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol
Property Insights of 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol
The XLogP value of 1.8414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol. The TPSA of 66.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol. Following Lipinski's Rule of Five, 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol has 1 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 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol?
The CAS number of 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol is 459804-26-3.
What is the molecular formula of 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol?
The molecular formula of 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol is C15H15N3O2S.
What is the molecular weight of 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol?
The molecular weight of 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol is 301.09 g/mol.
Where can I buy 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol?
You can request a quote for 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-4-pyrimidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.