1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile
TL;DR: 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 32136-89-3) is a chemical compound with molecular formula C12H15N3 and molecular weight 201.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,4,6-pentamethylpyridine-3,5-dicarbonitrile
Also Known As: 1,2,4,4,6-pentamethylpyridine-3,5-dicarbonitrile, 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile, pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile, 3,5-dicyano-1,2,4,4,6-pentamethyl-1,4-dihydropyridine, 1,4-Dihydro-1,2,4,4,6-pentamethyl-3,5-pyridinedicarbonitrile
| Molecular Formula | C12H15N3 |
|---|---|
| Molecular Weight | 201.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.1266 |
| Heavy Atoms | 15 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 32136-89-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1C)C)C#N)(C)C)C#N |
| InChIKey | CNTGWJAHTKDGOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 32136-89-3), with molecular formula C12H15N3 and molecular weight 201.13 g/mol. IUPAC: 1,2,4,4,6-pentamethylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Property Insights of 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile. With a topological polar surface area (TPSA) of 50.8 Ų, 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile has 0 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 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile is 32136-89-3.
What is the molecular formula of 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile is C12H15N3.
What is the molecular weight of 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile is 201.13 g/mol.
Where can I buy 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 1,2,4,4,6-Pentamethyl-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 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,4,6-Pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.