![4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile structure](/static/products/6347/63476-65-3.webp)
4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile
TL;DR: 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile (CAS 63476-65-3) is a chemical compound with molecular formula C21H14N2O and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(4-cyanophenyl)methylidene]-2-oxocyclopentylidene]methyl]benzonitrile
Also Known As: 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile, Benzonitrile, 4,4'-[(2-oxo-1,3-cyclopentanediylidene)dimethylidyne]bis-, Benzonitrile, 4,4a(2)-[(2-oxo-1,3-cyclopentanediylidene)dimethylidyne]bis-, 4-[[3-[(4-cyanophenyl)methylidene]-2-oxocyclopentylidene]methyl]benzonitrile
| Molecular Formula | C21H14N2O |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.25986 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.11063 |
| Heavy Atoms | 24 |
| Complexity | 840.2894 |
Chemical Identifiers
| CAS Number | 63476-65-3 |
|---|---|
| SMILES | C1CC(=CC2=CC=C(C=C2)C#N)C(=O)C1=CC3=CC=C(C=C3)C#N |
Product Overview
4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile (CAS 63476-65-3), with molecular formula C21H14N2O and molecular weight 310.11 g/mol. IUPAC: 4-[[3-[(4-cyanophenyl)methylidene]-2-oxocyclopentylidene]methyl]benzonitrile.
Chemical Property Profile of 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile
Property Insights of 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile
The XLogP value of 4.25986 indicates that 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile. Following Lipinski's Rule of Five, 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile has 0 hydrogen bond donor(s) and 3 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 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile?
The CAS number of 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile is 63476-65-3.
What is the molecular formula of 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile?
The molecular formula of 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile is C21H14N2O.
What is the molecular weight of 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile?
The molecular weight of 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile is 310.11 g/mol.
Where can I buy 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile?
You can request a quote for 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-[(2-Oxocyclopentane-1,3-diylidene)dimethanylylidene]dibenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.