![(2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile structure](/static/products/914/914636-36-5.png)
(2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile
TL;DR: (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile (CAS 914636-36-5) is a chemical compound with molecular formula C18H21N3O and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[[2-(1H-indol-3-yl)ethylamino]methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile, (2E)-2-[[2-(1H-indol-3-yl)ethylamino]methylidene]-4,4-dimethyl-3-oxopentanenitrile, (2E)-2-[[2-(1H-indol-3-yl)ethylamino]methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile, 2-[[2-(1H-indol-3-yl)ethylamino]methylidene]-4,4-dimethyl-3-oxo-pentanenitrile
| Molecular Formula | C18H21N3O |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 3.32268 |
| Topological Polar Surface Area | 68.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.16846 |
| Heavy Atoms | 22 |
| Complexity | 741.5134 |
Chemical Identifiers
| CAS Number | 914636-36-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C(=C/NCCC1=CNC2=CC=CC=C21)/C#N |
Product Overview
(2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile (CAS 914636-36-5), with molecular formula C18H21N3O and molecular weight 295.17 g/mol. IUPAC: (2E)-2-[[2-(1H-indol-3-yl)ethylamino]methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile
Property Insights of (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile
The XLogP value of 3.32268 indicates that (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile. Following Lipinski's Rule of Five, (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile has 2 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 (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile?
The CAS number of (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile is 914636-36-5.
What is the molecular formula of (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile?
The molecular formula of (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile is C18H21N3O.
What is the molecular weight of (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile?
The molecular weight of (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile is 295.17 g/mol.
Where can I buy (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile?
You can request a quote for (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.