1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide
TL;DR: 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide (CAS 374549-66-3) is a chemical compound with molecular formula C16H12N4O2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,2-tricyano-5-oxo-3-phenylcyclohexane-1-carboxamide
Also Known As: 1,2,2-tricyano-5-oxo-3-phenylcyclohexanecarboxamide, 1,2,2-tricyano-5-oxo-3-phenylcyclohexane-1-carboxamide, 5-oxo-3-phenyl-1,2,2-tricyano-1-cyclohexane-carboxamide
| Molecular Formula | C16H12N4O2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 1.16194 |
| Topological Polar Surface Area | 131.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.09604 |
| Heavy Atoms | 22 |
| Complexity | 737.081 |
Chemical Identifiers
| CAS Number | 374549-66-3 |
|---|---|
| SMILES | C1C(C(C(CC1=O)(C#N)C(=O)N)(C#N)C#N)C2=CC=CC=C2 |
Product Overview
1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide (CAS 374549-66-3), with molecular formula C16H12N4O2 and molecular weight 292.10 g/mol. IUPAC: 1,2,2-tricyano-5-oxo-3-phenylcyclohexane-1-carboxamide.
Chemical Property Profile of 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide
Property Insights of 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide
The XLogP value of 1.16194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide. The TPSA of 131.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide. Following Lipinski's Rule of Five, 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide has 1 hydrogen bond donor(s) and 5 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 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide?
The CAS number of 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide is 374549-66-3.
What is the molecular formula of 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide?
The molecular formula of 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide is C16H12N4O2.
What is the molecular weight of 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide?
The molecular weight of 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide is 292.10 g/mol.
Where can I buy 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide?
You can request a quote for 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,2-Tricyano-5-oxo-3-phenylcyclohexanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.