4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile
TL;DR: 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile (CAS 5424-70-4) is a chemical compound with molecular formula C17H26N2O2 and molecular weight 290.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile
Also Known As: 4-(diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile, 4-Diaethylamino-2-(2,3-dimethoxy-phenyl)-2-methyl-butyronitril, Benzeneacetonitrile,a-[2-(diethylamino)ethyl]-2,3-dimethoxy-a-methyl-
| Molecular Formula | C17H26N2O2 |
|---|---|
| Molecular Weight | 290.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 290.19943 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 5424-70-4 |
|---|---|
| SMILES | CCN(CC)CCC(C)(C#N)C1=C(C(=CC=C1)OC)OC |
| InChIKey | IANZFSNRGPYBKQ-UHFFFAOYSA-N |
Product Overview
4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile (CAS 5424-70-4), with molecular formula C17H26N2O2 and molecular weight 290.20 g/mol. IUPAC: 4-(diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile.
Chemical Property Profile of 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile
Property Insights of 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile
The XLogP value of 3.0 indicates that 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile 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
Frequently Asked Questions
What is the CAS number of 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile?
The CAS number of 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile is 5424-70-4.
What is the molecular formula of 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile?
The molecular formula of 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile is C17H26N2O2.
What is the molecular weight of 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile?
The molecular weight of 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile is 290.20 g/mol.
Where can I buy 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile?
You can request a quote for 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)-2-(2,3-dimethoxyphenyl)-2-methylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.