(2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
TL;DR: (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile (CAS 454211-72-4) is a chemical compound with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
Also Known As: (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile, 2-(1-butyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)-3-oxo-3-(pyrrolidin-1-yl)propanenitrile
| Molecular Formula | C19H21N3O2 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 2.73288 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.1634 |
| Heavy Atoms | 24 |
| Complexity | 739.22394 |
Chemical Identifiers
| CAS Number | 454211-72-4 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2/C(=C(/C#N)\C(=O)N3CCCC3)/C1=O |
Product Overview
(2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile (CAS 454211-72-4), with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol. IUPAC: (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile.
Chemical Property Profile of (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
Property Insights of (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
The XLogP value of 2.73288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile. The TPSA of 64.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile. Following Lipinski's Rule of Five, (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile 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 (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The CAS number of (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile is 454211-72-4.
What is the molecular formula of (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The molecular formula of (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile is C19H21N3O2.
What is the molecular weight of (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The molecular weight of (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile is 323.16 g/mol.
Where can I buy (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
You can request a quote for (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.