![2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile structure](/static/products/2400/24006-88-0.webp)
2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile
TL;DR: 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile (CAS 24006-88-0) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile
Also Known As: Dopamine Impurity 61, Verapamil Impurity 28, starbld0003806, 4,5-Dimethoxy-1,2-benzenediacetonitrile, 4,5-Dimethoxy-o-benzenediacetonitrile
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.83596 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 412.31216 |
Chemical Identifiers
| CAS Number | 24006-88-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC#N)CC#N)OC |
Product Overview
2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile (CAS 24006-88-0), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2-[2-(cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile.
Chemical Property Profile of 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile
Property Insights of 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile
The XLogP value of 1.83596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile. Following Lipinski's Rule of Five, 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]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-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile?
The CAS number of 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile is 24006-88-0.
What is the molecular formula of 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile?
The molecular formula of 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile is C12H12N2O2.
What is the molecular weight of 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile?
The molecular weight of 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile is 216.09 g/mol.
Where can I buy 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile?
You can request a quote for 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Cyanomethyl)-4,5-dimethoxyphenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.