![Bis[cyano(phenyl)methyl] oxalate structure](/static/products/120/120345-69-9.webp)
Bis[cyano(phenyl)methyl] oxalate
TL;DR: Bis[cyano(phenyl)methyl] oxalate (CAS 120345-69-9) is a chemical compound with molecular formula C18H12N2O4 and molecular weight 320.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[cyano(phenyl)methyl] oxalate
Also Known As: bis[cyano(phenyl)methyl] oxalate, Bis(cyano-phenyl-methyl) Oxalate, oxalic acid bis-(cyano-phenyl-methyl) ester
Technical Specifications
| Molecular Formula | C18H12N2O4 |
| Molecular Weight | 320.0797 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.0797 Da |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
| SMILES | C1=CC=C(C=C1)C(C#N)OC(=O)C(=O)OC(C#N)C2=CC=CC=C2 |
| InChIKey | JDCCSBRMNGOOPD-UHFFFAOYSA-N |
Chemical Property Profile of Bis[cyano(phenyl)methyl] oxalate
Property Insights of Bis[cyano(phenyl)methyl] oxalate
The XLogP value of 3.4 indicates that Bis[cyano(phenyl)methyl] oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis[cyano(phenyl)methyl] oxalate. Following Lipinski's Rule of Five, Bis[cyano(phenyl)methyl] oxalate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bis[cyano(phenyl)methyl] oxalate?
The CAS number of Bis[cyano(phenyl)methyl] oxalate is 120345-69-9.
What is the molecular formula of Bis[cyano(phenyl)methyl] oxalate?
The molecular formula of Bis[cyano(phenyl)methyl] oxalate is C18H12N2O4.
What is the molecular weight of Bis[cyano(phenyl)methyl] oxalate?
The molecular weight of Bis[cyano(phenyl)methyl] oxalate is 320.0797 g/mol.
Where can I buy Bis[cyano(phenyl)methyl] oxalate?
You can request a quote for Bis[cyano(phenyl)methyl] oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis[cyano(phenyl)methyl] oxalate?
Yes, CoreyChem provides custom synthesis services for Bis[cyano(phenyl)methyl] oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.