![2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile structure](/static/products/962/96219-74-8.png)
2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile
TL;DR: 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile (CAS 96219-74-8) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(dimethylamino)-2-(4-methoxybenzoyl)prop-2-enenitrile
Also Known As: 6741AC, 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile, 3-(Dimethylamino)-2-(4-methoxybenzoyl)acrylonitrile, IDI1_001262, (E)-3-(dimethylamino)-2-(4-methoxybenzoyl)prop-2-enenitrile
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 1.84698 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 467.188 |
Chemical Identifiers
| CAS Number | 96219-74-8 |
|---|---|
| SMILES | CN(C)/C=C(\C#N)/C(=O)C1=CC=C(C=C1)OC |
Product Overview
2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile (CAS 96219-74-8), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: (E)-3-(dimethylamino)-2-(4-methoxybenzoyl)prop-2-enenitrile.
Chemical Property Profile of 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile
Property Insights of 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile
The XLogP value of 1.84698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile. With a topological polar surface area (TPSA) of 53.33 Ų, 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile has 0 hydrogen bond donor(s) and 4 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-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile?
The CAS number of 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile is 96219-74-8.
What is the molecular formula of 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile?
The molecular formula of 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile is C13H14N2O2.
What is the molecular weight of 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile?
The molecular weight of 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile is 230.11 g/mol.
Where can I buy 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile?
You can request a quote for 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.