2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile
TL;DR: 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile (CAS 314729-72-1) is a chemical compound with molecular formula C32H31N3O3 and molecular weight 505.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-benzoyl-4-(morpholin-4-ylmethyl)-5-oxo-3,5-diphenylpentyl]propanedinitrile
Also Known As: 2-(2-benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile, 2-[2-benzoyl-4-(morpholin-4-ylmethyl)-5-oxo-3,5-diphenyl-pentyl]propanedinitrile, 2-[2-benzoyl-4-(morpholin-4-ylmethyl)-5-oxo-3,5-diphenylpentyl]propanedinitrile
| Molecular Formula | C32H31N3O3 |
|---|---|
| Molecular Weight | 505.24 g/mol |
| LogP | 5.15406 |
| Topological Polar Surface Area | 94.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 505.23654 |
| Heavy Atoms | 38 |
| Complexity | 1262.28 |
Chemical Identifiers
| CAS Number | 314729-72-1 |
|---|---|
| SMILES | C1COCCN1CC(C(C2=CC=CC=C2)C(CC(C#N)C#N)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 |
Product Overview
2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile (CAS 314729-72-1), with molecular formula C32H31N3O3 and molecular weight 505.24 g/mol. IUPAC: 2-[2-benzoyl-4-(morpholin-4-ylmethyl)-5-oxo-3,5-diphenylpentyl]propanedinitrile.
Chemical Property Profile of 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile
Property Insights of 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile
The XLogP value of 5.15406 indicates that 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile. Following Lipinski's Rule of Five, 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile?
The CAS number of 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile is 314729-72-1.
What is the molecular formula of 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile?
The molecular formula of 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile is C32H31N3O3.
What is the molecular weight of 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile?
The molecular weight of 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile is 505.24 g/mol.
Where can I buy 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile?
You can request a quote for 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Benzoyl-4-(morpholinomethyl)-5-oxo-3,5-diphenylpentyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.