(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile
TL;DR: (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile (CAS 82552-90-7) is a chemical compound with molecular formula C20H11N3O2 and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoinden-2-yl)-2-(1H-indol-3-yl)propanedinitrile
Also Known As: 2-(1,3-dioxoinden-2-yl)-2-(1H-indol-3-yl)propanedinitrile, (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile, 2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-2-(1H-indol-3-yl)malononitrile
| Molecular Formula | C20H11N3O2 |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 3.14826 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.0851 |
| Heavy Atoms | 25 |
| Complexity | 1078.5391 |
Chemical Identifiers
| CAS Number | 82552-90-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)C(C#N)(C#N)C3=CNC4=CC=CC=C43 |
Product Overview
(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile (CAS 82552-90-7), with molecular formula C20H11N3O2 and molecular weight 325.09 g/mol. IUPAC: 2-(1,3-dioxoinden-2-yl)-2-(1H-indol-3-yl)propanedinitrile.
Chemical Property Profile of (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile
Property Insights of (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile
The XLogP value of 3.14826 indicates that (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile. Following Lipinski's Rule of Five, (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile has 1 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 (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile?
The CAS number of (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile is 82552-90-7.
What is the molecular formula of (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile?
The molecular formula of (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile is C20H11N3O2.
What is the molecular weight of (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile?
The molecular weight of (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile is 325.09 g/mol.
Where can I buy (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile?
You can request a quote for (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.