2-(2,4-Dimethoxyphenyl)acetonitrile
TL;DR: 2-(2,4-Dimethoxyphenyl)acetonitrile (CAS 1891-11-8) 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-(2,4-dimethoxyphenyl)acetonitrile
Also Known As: 2-(2,4-dimethoxyphenyl)acetonitrile, 2,4-Dimethoxybenzyl cyanide, 2,4-Dimethoxyphenylacetonitrile, 2,4-Dimethoxybenzeneacetonitrile, 2,4-dimethoxyphenyl-acetonitrile
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 1891-11-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)CC#N)OC |
| InChIKey | RWELXDIUDWWGKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,4-Dimethoxyphenyl)acetonitrile (CAS 1891-11-8), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 2-(2,4-dimethoxyphenyl)acetonitrile.
Chemical Property Profile of 2-(2,4-Dimethoxyphenyl)acetonitrile
Property Insights of 2-(2,4-Dimethoxyphenyl)acetonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Dimethoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 2-(2,4-Dimethoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Dimethoxyphenyl)acetonitrile 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-(2,4-Dimethoxyphenyl)acetonitrile?
The CAS number of 2-(2,4-Dimethoxyphenyl)acetonitrile is 1891-11-8.
What is the molecular formula of 2-(2,4-Dimethoxyphenyl)acetonitrile?
The molecular formula of 2-(2,4-Dimethoxyphenyl)acetonitrile is C10H11NO2.
What is the molecular weight of 2-(2,4-Dimethoxyphenyl)acetonitrile?
The molecular weight of 2-(2,4-Dimethoxyphenyl)acetonitrile is 177.08 g/mol.
Where can I buy 2-(2,4-Dimethoxyphenyl)acetonitrile?
You can request a quote for 2-(2,4-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-(2,4-Dimethoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dimethoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.