4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile
TL;DR: 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile (CAS 6341-61-3) is a chemical compound with molecular formula C25H21NO and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-1,2,6-triphenylcyclohexane-1-carbonitrile
Also Known As: 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile, 4-oxo-1,2,6-triphenylcyclohexane-1-carbonitrile, CYCLOHEXANECARBONITRILE,4-OXO-1,2,6-TRIPHENYL-, 2~4~-Oxo-2~6~-phenyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~1~(2~2~H)-carbonitrile
| Molecular Formula | C25H21NO |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.16232 |
| Heavy Atoms | 27 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 6341-61-3 |
|---|---|
| SMILES | C1C(C(C(CC1=O)C2=CC=CC=C2)(C#N)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | HUFNWVLCSKBRCC-UHFFFAOYSA-N |
Product Overview
4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile (CAS 6341-61-3), with molecular formula C25H21NO and molecular weight 351.16 g/mol. IUPAC: 4-oxo-1,2,6-triphenylcyclohexane-1-carbonitrile.
Chemical Property Profile of 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile
Property Insights of 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile
The XLogP value of 4.4 indicates that 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile has 0 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 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile?
The CAS number of 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile is 6341-61-3.
What is the molecular formula of 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile?
The molecular formula of 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile is C25H21NO.
What is the molecular weight of 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile?
The molecular weight of 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile is 351.16 g/mol.
Where can I buy 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile?
You can request a quote for 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-1,2,6-triphenylcyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.