3-(3,4-Dimethoxyphenyl)acrylonitrile
TL;DR: 3-(3,4-Dimethoxyphenyl)acrylonitrile (CAS 37629-85-9) 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.
(E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Also Known As: 3-(3,4-Dimethoxyphenyl)acrylonitrile, 3,4-Dimethoxycinnamonitrile, Donepezil Intermediate 21, Cinnamonitrile,4-dimethoxy-, Cinnamonitrile, 3,4-dimethoxy-
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.24058 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 377.3642 |
Chemical Identifiers
| CAS Number | 37629-85-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C#N)OC |
Product Overview
3-(3,4-Dimethoxyphenyl)acrylonitrile (CAS 37629-85-9), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)acrylonitrile
Property Insights of 3-(3,4-Dimethoxyphenyl)acrylonitrile
The XLogP value of 2.24058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxyphenyl)acrylonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 3-(3,4-Dimethoxyphenyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)acrylonitrile 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)acrylonitrile?
The CAS number of 3-(3,4-Dimethoxyphenyl)acrylonitrile is 37629-85-9.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)acrylonitrile?
The molecular formula of 3-(3,4-Dimethoxyphenyl)acrylonitrile is C11H11NO2.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)acrylonitrile?
The molecular weight of 3-(3,4-Dimethoxyphenyl)acrylonitrile is 189.08 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)acrylonitrile?
You can request a quote for 3-(3,4-Dimethoxyphenyl)acrylonitrile 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)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.