2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile
TL;DR: 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 1539-51-1) is a chemical compound with molecular formula C11H13N3 and molecular weight 187.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,4,6-tetramethyl-1H-pyridine-3,5-dicarbonitrile
Also Known As: 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile, 2,4,4,6-tetramethyl-1H-pyridine-3,5-dicarbonitrile, 2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile, 2,4,4,6-tetra-methyl-3,5-dicyano-1,4-dihydropyridine, 1,4-dihydro-2,4,4,6-tetramethylpyridine-3,5-dicarbonitrile
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.11095 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.11095 Da |
| Heavy Atoms | 14 |
| Complexity | 392.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C#N)(C)C)C#N |
| InChIKey | AMLKEWGNDHITHK-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Property Insights of 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile. With a topological polar surface area (TPSA) of 59.6 Ų, 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile 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
What is the CAS number of 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile is 1539-51-1.
What is the molecular formula of 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile is C11H13N3.
What is the molecular weight of 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile is 187.11095 g/mol.
Where can I buy 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.