Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-
TL;DR: Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)- (CAS 41996-57-0) is a chemical compound with molecular formula C20H15N3O2 and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dimethylamino)phenyl]-2-(1,3-dioxoinden-2-yl)propanedinitrile
Also Known As: BIM-0005212.P001, AE-848/32494033, 2-[4-(dimethylamino)phenyl]-2-(1,3-dioxoinden-2-yl)propanedinitrile, Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoinden-2-yl)propanedinitrile
| Molecular Formula | C20H15N3O2 |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.11642 |
| Heavy Atoms | 25 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 41996-57-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(C#N)(C#N)C2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | VTCQRXOHASTDPU-UHFFFAOYSA-N |
Product Overview
Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)- (CAS 41996-57-0), with molecular formula C20H15N3O2 and molecular weight 329.12 g/mol. IUPAC: 2-[4-(dimethylamino)phenyl]-2-(1,3-dioxoinden-2-yl)propanedinitrile.
Chemical Property Profile of Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-
Property Insights of Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-. Following Lipinski's Rule of Five, Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)- has 0 hydrogen bond donor(s) and 5 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 Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-?
The CAS number of Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)- is 41996-57-0.
What is the molecular formula of Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-?
The molecular formula of Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)- is C20H15N3O2.
What is the molecular weight of Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-?
The molecular weight of Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)- is 329.12 g/mol.
Where can I buy Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-?
You can request a quote for Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, 2-(4-dimethylaminophenyl)-2-(1,3-dioxoindan-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.