2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 338960-21-7) is a chemical compound with molecular formula C16H17ClN2O and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: Bionet2_000764, 2-tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-(tert-butyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, 5L-084, 6-tert-butyl-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C16H17ClN2O |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 3.76728 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.10294 |
| Heavy Atoms | 20 |
| Complexity | 602.8494 |
Chemical Identifiers
| CAS Number | 338960-21-7 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(CC(=O)N1)C2=CC=C(C=C2)Cl)C#N |
Product Overview
2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 338960-21-7), with molecular formula C16H17ClN2O and molecular weight 288.10 g/mol. IUPAC: 6-tert-butyl-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 3.76728 indicates that 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is 338960-21-7.
What is the molecular formula of 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is C16H17ClN2O.
What is the molecular weight of 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile is 288.10 g/mol.
Where can I buy 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.