1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile
TL;DR: 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile (CAS 117491-00-6) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.0834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Also Known As: 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile, 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-, 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(methylsulfanyl)-1,4-dihydropyridine-3-carbonitrile, 5-ACETYL-6-METHYL-2-(METHYLSULFANYL)-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3-CARBONITRILE, 5-acetyl-6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C16H15N3O3S |
| Molecular Weight | 329.0834 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.0834 Da |
| Heavy Atoms | 23 |
| Complexity | 639.0 |
| SMILES | CC1=C(C(C(=C(N1)SC)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C |
| InChIKey | GAWBNRVZHGGDBW-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile
Property Insights of 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile?
The CAS number of 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile is 117491-00-6.
What is the molecular formula of 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile?
The molecular formula of 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile is C16H15N3O3S.
What is the molecular weight of 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile?
The molecular weight of 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile is 329.0834 g/mol.
Where can I buy 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile?
You can request a quote for 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-(3-nitrophenyl)-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.