2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 453583-97-6) is a chemical compound with molecular formula C23H22N2O and molecular weight 342.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2,7,7-trimethyl-4-(naphthalen-1-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 10W-0276, 2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile, 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C23H22N2O |
|---|---|
| Molecular Weight | 342.17 g/mol |
| LogP | 4.96738 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.17322 |
| Heavy Atoms | 26 |
| Complexity | 1028.349 |
Chemical Identifiers
| CAS Number | 453583-97-6 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC4=CC=CC=C43)C#N |
Product Overview
2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 453583-97-6), with molecular formula C23H22N2O and molecular weight 342.17 g/mol. IUPAC: 2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 4.96738 indicates that 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 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 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 453583-97-6.
What is the molecular formula of 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C23H22N2O.
What is the molecular weight of 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 342.17 g/mol.
Where can I buy 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.