4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
TL;DR: 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile (CAS 442659-68-9) is a chemical compound with molecular formula C14H19N3OS and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-oxo-6-pentylsulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile
Also Known As: F1159-0093, 4,4-dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile, A2802/0118429, 4,4-dimethyl-2-oxo-6-pentylsulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile, 4,4-dimethyl-2-oxo-6-(pentylsulfanyl)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
| Molecular Formula | C14H19N3OS |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.12488 |
| Heavy Atoms | 19 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 442659-68-9 |
|---|---|
| SMILES | CCCCCSC1=C(C(C(C(=O)N1)C#N)(C)C)C#N |
| InChIKey | AZKASOGCWJDADQ-UHFFFAOYSA-N |
Product Overview
4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile (CAS 442659-68-9), with molecular formula C14H19N3OS and molecular weight 277.12 g/mol. IUPAC: 4,4-dimethyl-2-oxo-6-pentylsulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile.
Chemical Property Profile of 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
Property Insights of 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile 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 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile?
The CAS number of 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile is 442659-68-9.
What is the molecular formula of 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile?
The molecular formula of 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile is C14H19N3OS.
What is the molecular weight of 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile?
The molecular weight of 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile is 277.12 g/mol.
Where can I buy 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile?
You can request a quote for 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2-oxo-6-(pentylthio)-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.