(E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
TL;DR: (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile (CAS 3698-47-3) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: 3-(dimethylamino)-2-(4-methoxyphenyl)acrylonitrile, KST-1A4302, (2e)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile, Ethane,1,1,2,2-tetrafluoro-1,2-dinitro, (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 3698-47-3 |
|---|---|
| SMILES | CN(C)/C=C(/C#N)\C1=CC=C(C=C1)OC |
| InChIKey | JDLABNWECQGHOL-LUAWRHEFSA-N |
Product Overview
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile (CAS 3698-47-3), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
Property Insights of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 36.3 Ų, (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile 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 (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile?
The CAS number of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile is 3698-47-3.
What is the molecular formula of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile is C12H14N2O.
What is the molecular weight of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile is 202.11 g/mol.
Where can I buy (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.