5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile
TL;DR: 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile (CAS 299922-02-4) is a chemical compound with molecular formula C19H16N4O and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile
Also Known As: ChemDiv2_002130, 5-oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile, A2250/0094773, 1,1,2,2-Cyclohexanetetracarbonitrile, 5-oxo-3-phenyl-4-propyl-, 1,2,2-TRICYANO-4-OXO-6-PHENYL-5-PROPYLCYCLOHEXYL CYANIDE
| Molecular Formula | C19H16N4O |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 3.22642 |
| Topological Polar Surface Area | 112.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.13242 |
| Heavy Atoms | 24 |
| Complexity | 772.98926 |
Chemical Identifiers
| CAS Number | 299922-02-4 |
|---|---|
| SMILES | CCCC1C(C(C(CC1=O)(C#N)C#N)(C#N)C#N)C2=CC=CC=C2 |
Product Overview
5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile (CAS 299922-02-4), with molecular formula C19H16N4O and molecular weight 316.13 g/mol. IUPAC: 5-oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile.
Chemical Property Profile of 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile
Property Insights of 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile
The XLogP value of 3.22642 indicates that 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile. Following Lipinski's Rule of Five, 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile has 0 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 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile?
The CAS number of 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile is 299922-02-4.
What is the molecular formula of 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile?
The molecular formula of 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile is C19H16N4O.
What is the molecular weight of 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile?
The molecular weight of 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile is 316.13 g/mol.
Where can I buy 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile?
You can request a quote for 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-3-phenyl-4-propylcyclohexane-1,1,2,2-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.