4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one
TL;DR: 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one (CAS 313269-11-3) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethyl-5-pyridin-2-ylsulfanyl-1,3-dihydropyridin-6-one
Also Known As: 2,2,4-trimethyl-5-pyridin-2-ylsulfanyl-1,3-dihydropyridin-6-one, 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one, 4,6,6-trimethyl-3-(pyridin-2-ylthio)-5,6-dihydropyridin-2(1H)-one
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 313269-11-3 |
|---|---|
| SMILES | CC1=C(C(=O)NC(C1)(C)C)SC2=CC=CC=N2 |
| InChIKey | LYIOYMUIZFUFJR-UHFFFAOYSA-N |
Product Overview
4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one (CAS 313269-11-3), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: 2,2,4-trimethyl-5-pyridin-2-ylsulfanyl-1,3-dihydropyridin-6-one.
Chemical Property Profile of 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one
Property Insights of 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one. Following Lipinski's Rule of Five, 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one 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 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one?
The CAS number of 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one is 313269-11-3.
What is the molecular formula of 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one?
The molecular formula of 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one is C13H16N2OS.
What is the molecular weight of 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one?
The molecular weight of 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one is 248.10 g/mol.
Where can I buy 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one?
You can request a quote for 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.