2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile
TL;DR: 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile (CAS 154490-71-8) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile
Also Known As: 2,4-bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile, J1.043.872A, 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutyronitrile
Technical Specifications
| Molecular Formula | C20H21NO5 |
| Molecular Weight | 355.14197 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.14197 Da |
| Heavy Atoms | 26 |
| Complexity | 502.0 |
| SMILES | COC1=C(C=C(C=C1)C(CC(=O)C2=CC(=C(C=C2)OC)OC)C#N)OC |
| InChIKey | KNSUGJPUWURPHN-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile
Property Insights of 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile. Following Lipinski's Rule of Five, 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile 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 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile?
The CAS number of 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile is 154490-71-8.
What is the molecular formula of 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile?
The molecular formula of 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile is C20H21NO5.
What is the molecular weight of 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile?
The molecular weight of 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile is 355.14197 g/mol.
Where can I buy 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile?
You can request a quote for 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile?
Yes, CoreyChem provides custom synthesis services for 2,4-Bis(3,4-dimethoxyphenyl)-4-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.