4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
TL;DR: 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 1539-52-2) is a chemical compound with molecular formula C16H15N3 and molecular weight 249.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Also Known As: 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile, 4-benzyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile, 2,6-dimethyl-4-benzyl-1,4-dihydropyridine-3,5-dicarbonitrile, 1,4-Dihydro-2,6-dimethyl-4-(phenylmethyl)-3,5-pyridinedicarbonitrile
| Molecular Formula | C16H15N3 |
|---|---|
| Molecular Weight | 249.13 g/mol |
| LogP | 3.04366 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.1266 |
| Heavy Atoms | 19 |
| Complexity | 588.1982 |
Chemical Identifiers
| CAS Number | 1539-52-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C#N)CC2=CC=CC=C2)C#N |
Product Overview
4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 1539-52-2), with molecular formula C16H15N3 and molecular weight 249.13 g/mol. IUPAC: 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
Chemical Property Profile of 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Property Insights of 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 3.04366 indicates that 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-2,6-dimethyl-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 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is 1539-52-2.
What is the molecular formula of 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is C16H15N3.
What is the molecular weight of 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is 249.13 g/mol.
Where can I buy 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 4-Benzyl-2,6-dimethyl-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 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.