4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile
TL;DR: 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile (CAS 374764-07-5) is a chemical compound with molecular formula C21H23NO6 and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile
Also Known As: 4-(3,4-dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile
| Molecular Formula | C21H23NO6 |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 3.60978 |
| Topological Polar Surface Area | 87.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 385.15253 |
| Heavy Atoms | 28 |
| Complexity | 861.945 |
Chemical Identifiers
| CAS Number | 374764-07-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CC(C#N)C2=CC(=C(C(=C2)OC)OC)OC)OC |
Product Overview
4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile (CAS 374764-07-5), with molecular formula C21H23NO6 and molecular weight 385.15 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile.
Chemical Property Profile of 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile
Property Insights of 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile
The XLogP value of 3.60978 indicates that 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile has 0 hydrogen bond donor(s) and 7 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-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile?
The CAS number of 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile is 374764-07-5.
What is the molecular formula of 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile?
The molecular formula of 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile is C21H23NO6.
What is the molecular weight of 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile?
The molecular weight of 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile is 385.15 g/mol.
Where can I buy 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile?
You can request a quote for 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethoxyphenyl)-4-oxo-2-(3,4,5-trimethoxyphenyl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.