![1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile structure](/static/products/4391/439120-71-5.webp)
1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 439120-71-5) is a chemical compound with molecular formula C21H20N2O2 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile
Also Known As: 1-[4-(tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 1-[(4-tert-butylphenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile, 1-[(4-tert-butylphenyl)methyl]-4-(furan-2-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile, 9R-0209, 1-[(4-tert-butylphenyl)methyl]-4-(2-furyl)-2-oxo-pyridine-3-carbonitrile
| Molecular Formula | C21H20N2O2 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 4.32578 |
| Topological Polar Surface Area | 58.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.15247 |
| Heavy Atoms | 25 |
| Complexity | 966.716 |
Chemical Identifiers
| CAS Number | 439120-71-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C=CC(=C(C2=O)C#N)C3=CC=CO3 |
Product Overview
1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 439120-71-5), with molecular formula C21H20N2O2 and molecular weight 332.15 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 4.32578 indicates that 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.93 Ų, 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile 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-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 439120-71-5.
What is the molecular formula of 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is C21H20N2O2.
What is the molecular weight of 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 332.15 g/mol.
Where can I buy 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Tert-butyl)benzyl]-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.