2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile
TL;DR: 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile (CAS 39081-26-0) is a chemical compound with molecular formula C12H7N3O and molecular weight 209.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyl-2-oxoindol-3-ylidene)propanedinitrile
Also Known As: 1-Methyl-3-(dicyanomethylene)indoline-2-one, 3-(Dicyanomethylene)-1-methylindoline-2-one, 2-(1-methyl-2-oxoindol-3-ylidene)propanedinitrile, 2-(1-Methyl-2-oxoindolin-3-ylidene)malononitrile, (1-Methyl-2-oxoindoline-3-ylidene)malononitrile
| Molecular Formula | C12H7N3O |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 1.46376 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.05891 |
| Heavy Atoms | 16 |
| Complexity | 571.01685 |
Chemical Identifiers
| CAS Number | 39081-26-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C(C#N)C#N)C1=O |
Product Overview
2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile (CAS 39081-26-0), with molecular formula C12H7N3O and molecular weight 209.06 g/mol. IUPAC: 2-(1-methyl-2-oxoindol-3-ylidene)propanedinitrile.
Chemical Property Profile of 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile
Property Insights of 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile
The XLogP value of 1.46376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile 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-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile?
The CAS number of 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile is 39081-26-0.
What is the molecular formula of 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile?
The molecular formula of 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile is C12H7N3O.
What is the molecular weight of 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile?
The molecular weight of 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile is 209.06 g/mol.
Where can I buy 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile?
You can request a quote for 2-(1-Methyl-2-oxoindol-3-ylidene)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-Methyl-2-oxoindol-3-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-2-oxoindol-3-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.