3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile
TL;DR: 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile (CAS 76453-11-7) is a chemical compound with molecular formula C28H22N2O2 and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile
Also Known As: 3,5-dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile
| Molecular Formula | C28H22N2O2 |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 5.59576 |
| Topological Polar Surface Area | 81.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.16812 |
| Heavy Atoms | 32 |
| Complexity | 1113.4347 |
Chemical Identifiers
| CAS Number | 76453-11-7 |
|---|---|
| SMILES | C1C(C(C(CC1(C#N)C#N)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 |
Product Overview
3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile (CAS 76453-11-7), with molecular formula C28H22N2O2 and molecular weight 418.17 g/mol. IUPAC: 3,5-dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile.
Chemical Property Profile of 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile
Property Insights of 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile
The XLogP value of 5.59576 indicates that 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile?
The CAS number of 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile is 76453-11-7.
What is the molecular formula of 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile?
The molecular formula of 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile is C28H22N2O2.
What is the molecular weight of 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile?
The molecular weight of 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile is 418.17 g/mol.
Where can I buy 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile?
You can request a quote for 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibenzoyl-4-phenylcyclohexane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.