![2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile structure](/static/products/7918/79183-42-9.webp)
2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile
TL;DR: 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile (CAS 79183-42-9) is a chemical compound with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile
Also Known As: SDCCGSBI-0142351.P001, 2-((2,3-Dioxoindolin-1-yl)methyl)benzonitrile, 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile, 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile, 2-[(2,3-dioxobenzo[d]azolinyl)methyl]benzenecarbonitrile
| Molecular Formula | C16H10N2O2 |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 2.28778 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.07422 |
| Heavy Atoms | 20 |
| Complexity | 759.0673 |
Chemical Identifiers
| CAS Number | 79183-42-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=O)C2=O)C#N |
Product Overview
2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile (CAS 79183-42-9), with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol. IUPAC: 2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile.
Chemical Property Profile of 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile
Property Insights of 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile
The XLogP value of 2.28778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile. Following Lipinski's Rule of Five, 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile 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 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile?
The CAS number of 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile is 79183-42-9.
What is the molecular formula of 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile?
The molecular formula of 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile is C16H10N2O2.
What is the molecular weight of 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile?
The molecular weight of 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile is 262.07 g/mol.
Where can I buy 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile?
You can request a quote for 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.