2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile
TL;DR: 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile (CAS 109614-10-0) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile
Also Known As: 2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 3.59258 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 746.9524 |
Chemical Identifiers
| CAS Number | 109614-10-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CC(C#N)C2=CC(=C(C=C2)OC)OC |
Product Overview
2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile (CAS 109614-10-0), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile.
Chemical Property Profile of 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile
Property Insights of 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile
The XLogP value of 3.59258 indicates that 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile. Following Lipinski's Rule of Five, 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile has 0 hydrogen bond donor(s) and 5 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 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile?
The CAS number of 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile is 109614-10-0.
What is the molecular formula of 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile?
The molecular formula of 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile is C19H19NO4.
What is the molecular weight of 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile?
The molecular weight of 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile is 325.13 g/mol.
Where can I buy 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile?
You can request a quote for 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)-4-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.