2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile
TL;DR: 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile (CAS 82552-91-8) is a chemical compound with molecular formula C21H13N3O2 and molecular weight 339.10 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-(2-methyl-1H-indol-3-yl)propanedinitrile
Also Known As: A2076/0087265, 2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl)-malononitrile, 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile, 2-(1,3-diketoindan-2-yl)-2-(2-methyl-1H-indol-3-yl)malononitrile, 2-(1,3-dioxo-2-indenyl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile
| Molecular Formula | C21H13N3O2 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.10077 |
| Heavy Atoms | 26 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 82552-91-8 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(C#N)(C#N)C3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | STVUWNZRVYWDSV-UHFFFAOYSA-N |
Product Overview
2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile (CAS 82552-91-8), with molecular formula C21H13N3O2 and molecular weight 339.10 g/mol. IUPAC: 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile.
Chemical Property Profile of 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile
Property Insights of 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile
The XLogP value of 3.1 indicates that 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile. Following Lipinski's Rule of Five, 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-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 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile?
The CAS number of 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile is 82552-91-8.
What is the molecular formula of 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile?
The molecular formula of 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile is C21H13N3O2.
What is the molecular weight of 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile?
The molecular weight of 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile is 339.10 g/mol.
Where can I buy 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile?
You can request a quote for 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-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 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.