2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile
TL;DR: 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile (CAS 22972-63-0) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethoxyphenyl)-2-methylpropanenitrile
Also Known As: 2-(3,5-dimethoxyphenyl)-2-methylpropanenitrile, 2- -2-METHYL-PROPIONITRILE, Benzeneacetonitrile, 3,5-dimethoxy-alpha,alpha-dimethyl-, 2-(3,5-DIMETHOXY-PHENYL)-2-METHYL-PROPIONITRILE, 2-(3,5-dimethoxyphenyl)-2-methyl-propanenitrile
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.50498 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 368.84885 |
Chemical Identifiers
| CAS Number | 22972-63-0 |
|---|---|
| SMILES | CC(C)(C#N)C1=CC(=CC(=C1)OC)OC |
Product Overview
2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile (CAS 22972-63-0), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 2-(3,5-dimethoxyphenyl)-2-methylpropanenitrile.
Chemical Property Profile of 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile
Property Insights of 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile
The XLogP value of 2.50498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile has 0 hydrogen bond donor(s) and 3 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-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile?
The CAS number of 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile is 22972-63-0.
What is the molecular formula of 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile?
The molecular formula of 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile is C12H15NO2.
What is the molecular weight of 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile?
The molecular weight of 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile is 205.11 g/mol.
Where can I buy 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile?
You can request a quote for 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dimethoxyphenyl)-2-methylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.