2,5-Dimethoxyphenylacetonitrile
TL;DR: 2,5-Dimethoxyphenylacetonitrile (CAS 18086-24-3) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethoxyphenyl)acetonitrile
Also Known As: 2,5-Dimethoxyphenylacetonitrile, 2-(2,5-dimethoxyphenyl)acetonitrile, Verapamil Impurity 24, Dopamine Impurity 105, Benzeneacetonitrile, 2,5-dimethoxy-
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.76988 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 328.1869 |
Chemical Identifiers
| CAS Number | 18086-24-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)CC#N |
Product Overview
2,5-Dimethoxyphenylacetonitrile (CAS 18086-24-3), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 2-(2,5-dimethoxyphenyl)acetonitrile.
Chemical Property Profile of 2,5-Dimethoxyphenylacetonitrile
Property Insights of 2,5-Dimethoxyphenylacetonitrile
The XLogP value of 1.76988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethoxyphenylacetonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 2,5-Dimethoxyphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethoxyphenylacetonitrile 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 2,5-Dimethoxyphenylacetonitrile?
The CAS number of 2,5-Dimethoxyphenylacetonitrile is 18086-24-3.
What is the molecular formula of 2,5-Dimethoxyphenylacetonitrile?
The molecular formula of 2,5-Dimethoxyphenylacetonitrile is C10H11NO2.
What is the molecular weight of 2,5-Dimethoxyphenylacetonitrile?
The molecular weight of 2,5-Dimethoxyphenylacetonitrile is 177.08 g/mol.
Where can I buy 2,5-Dimethoxyphenylacetonitrile?
You can request a quote for 2,5-Dimethoxyphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethoxyphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethoxyphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.