3-(3,4-Dimethoxyphenyl)-2-propenenitrile
TL;DR: 3-(3,4-Dimethoxyphenyl)-2-propenenitrile (CAS 6443-72-7) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Also Known As: 3,4-Dimethoxycinnamonitrile, 3-(3,4-Dimethoxyphenyl)acrylonitrile, 3-(3,4-dimethoxyphenyl)prop-2-enenitrile, 3,4-DIMETHOXYCINNAMIC ACID, 3-(3,4-Dimethoxyphenyl)-2-propenenitrile
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 6443-72-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CC#N)OC |
| InChIKey | WGPTVEZJYRFEGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,4-Dimethoxyphenyl)-2-propenenitrile (CAS 6443-72-7), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-2-propenenitrile
Property Insights of 3-(3,4-Dimethoxyphenyl)-2-propenenitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxyphenyl)-2-propenenitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 3-(3,4-Dimethoxyphenyl)-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-2-propenenitrile 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 3-(3,4-Dimethoxyphenyl)-2-propenenitrile?
The CAS number of 3-(3,4-Dimethoxyphenyl)-2-propenenitrile is 6443-72-7.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-2-propenenitrile?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-2-propenenitrile is C11H11NO2.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-2-propenenitrile?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-2-propenenitrile is 189.08 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-2-propenenitrile?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxyphenyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.