2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile
TL;DR: 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile (CAS 15189-93-2) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-diethoxyphenyl)-2-(dimethylamino)acetonitrile
Also Known As: 2-(3,4-diethoxyphenyl)-2-(dimethylamino)acetonitrile, (3,4-Diethoxyphenyl)(dimethylamino)acetonitrile, Dimethylamino-<3,4-diethoxy-phenyl>-acetonitril, BENZENEACETONITRILE, A-(DIMETHYLAMINO)-3,4-DIETHOXY-
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 15189-93-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(C#N)N(C)C)OCC |
| InChIKey | YOWLINZASNDMHX-UHFFFAOYSA-N |
Product Overview
2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile (CAS 15189-93-2), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: 2-(3,4-diethoxyphenyl)-2-(dimethylamino)acetonitrile.
Chemical Property Profile of 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile
Property Insights of 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile. With a topological polar surface area (TPSA) of 45.5 Ų, 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile 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 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile?
The CAS number of 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile is 15189-93-2.
What is the molecular formula of 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile?
The molecular formula of 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile is C14H20N2O2.
What is the molecular weight of 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile?
The molecular weight of 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile is 248.15 g/mol.
Where can I buy 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile?
You can request a quote for 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile 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-Diethoxyphenyl)-2-(dimethylamino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Diethoxyphenyl)-2-(dimethylamino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.