2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
TL;DR: 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 3274-37-1) is a chemical compound with molecular formula C10H11N3 and molecular weight 173.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Also Known As: 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile, methyl 5-chloro-2-methoxynicotinate, AJ-077/25078006, 1,4-DIHYDRO-2,4,6-TRIMETHYL-3,5-PYRIDINEDICARBONITRILE, 3,5-Pyridinedicarbonitrile,1,4-dihydro-2,4,6-trimethyl-
| Molecular Formula | C10H11N3 |
|---|---|
| Molecular Weight | 173.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.09529 |
| Heavy Atoms | 13 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 3274-37-1 |
|---|---|
| SMILES | CC1C(=C(NC(=C1C#N)C)C)C#N |
| InChIKey | VGTGFBRSPOIYFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 3274-37-1), with molecular formula C10H11N3 and molecular weight 173.10 g/mol. IUPAC: 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Property Insights of 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile. With a topological polar surface area (TPSA) of 59.6 Ų, 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethyl-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
Frequently Asked Questions
What is the CAS number of 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is 3274-37-1.
What is the molecular formula of 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is C10H11N3.
What is the molecular weight of 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is 173.10 g/mol.
Where can I buy 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 2,4,6-Trimethyl-1,4-dihydropyridine-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 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.