4,4'-Trimethylenedioxydibenzonitrile
TL;DR: 4,4'-Trimethylenedioxydibenzonitrile (CAS 7476-06-4) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(4-cyanophenoxy)propoxy]benzonitrile
Also Known As: 4,4'- bisbenzonitrile, 4,4'-Trimethylenedioxydibenzonitrile, 4,4-Trimethylenedioxydibenzonitrile, 4-[3-(4-cyanophenoxy)propoxy]benzonitrile, 1,3-BIS(4-CYANOPHENOXY)PROPANE
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H14N2O2 |
| Molecular Weight | 278.10553 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.10553 Da |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
| SMILES | C1=CC(=CC=C1C#N)OCCCOC2=CC=C(C=C2)C#N |
| InChIKey | MFRPGHISIXEJAA-UHFFFAOYSA-N |
Chemical Property Profile of 4,4'-Trimethylenedioxydibenzonitrile
Property Insights of 4,4'-Trimethylenedioxydibenzonitrile
The XLogP value of 3.4 indicates that 4,4'-Trimethylenedioxydibenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Trimethylenedioxydibenzonitrile. Following Lipinski's Rule of Five, 4,4'-Trimethylenedioxydibenzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4'-Trimethylenedioxydibenzonitrile?
The CAS number of 4,4'-Trimethylenedioxydibenzonitrile is 7476-06-4.
What is the molecular formula of 4,4'-Trimethylenedioxydibenzonitrile?
The molecular formula of 4,4'-Trimethylenedioxydibenzonitrile is C17H14N2O2.
What is the molecular weight of 4,4'-Trimethylenedioxydibenzonitrile?
The molecular weight of 4,4'-Trimethylenedioxydibenzonitrile is 278.10553 g/mol.
Where can I buy 4,4'-Trimethylenedioxydibenzonitrile?
You can request a quote for 4,4'-Trimethylenedioxydibenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4'-Trimethylenedioxydibenzonitrile?
Yes, CoreyChem provides custom synthesis services for 4,4'-Trimethylenedioxydibenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.