2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile
TL;DR: 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile (CAS 5424-64-6) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile
Also Known As: 2-(2,3-dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile, Benzeneacetonitrile,4-methoxy-a-methyl-a-propyl, Benzeneacetonitrile, a-(3-ethoxy-1-oxopropyl)-2,3-dimethoxy-
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 5424-64-6 |
|---|---|
| SMILES | CCOCCC(=O)C(C#N)C1=C(C(=CC=C1)OC)OC |
| InChIKey | JQAULPZJMFEUNC-UHFFFAOYSA-N |
Product Overview
2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile (CAS 5424-64-6), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: 2-(2,3-dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile.
Chemical Property Profile of 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile
Property Insights of 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile. Following Lipinski's Rule of Five, 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile 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-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile?
The CAS number of 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile is 5424-64-6.
What is the molecular formula of 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile?
The molecular formula of 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile is C15H19NO4.
What is the molecular weight of 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile?
The molecular weight of 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile is 277.13 g/mol.
Where can I buy 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile?
You can request a quote for 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-Dimethoxyphenyl)-5-ethoxy-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.