2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile
TL;DR: 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile (CAS 676274-97-8) is a chemical compound with molecular formula C13H9N3 and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-methylindol-2-yl)methylidene]propanedinitrile
Also Known As: J2.524.211D, 2-[(1-methylindol-2-yl)methylidene]propanedinitrile, 2-(1-Methyl-1H-indole-2-ylmethylene)malononitrile, 2-[(1-methyl-1H-indol-2-yl)methylidene]propanedinitrile, 2-((1-methyl-1H-indol-2-yl)methylene)malononitrile
| Molecular Formula | C13H9N3 |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 2.60886 |
| Topological Polar Surface Area | 52.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.07965 |
| Heavy Atoms | 16 |
| Complexity | 631.848 |
Chemical Identifiers
| CAS Number | 676274-97-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C=C1C=C(C#N)C#N |
Product Overview
2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile (CAS 676274-97-8), with molecular formula C13H9N3 and molecular weight 207.08 g/mol. IUPAC: 2-[(1-methylindol-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile
Property Insights of 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile
The XLogP value of 2.60886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile. With a topological polar surface area (TPSA) of 52.51 Ų, 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile has 0 hydrogen bond donor(s) and 2 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-1H-indol-2-ylmethylene)-malononitrile?
The CAS number of 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile is 676274-97-8.
What is the molecular formula of 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile?
The molecular formula of 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile is C13H9N3.
What is the molecular weight of 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile?
The molecular weight of 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile is 207.08 g/mol.
Where can I buy 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile?
You can request a quote for 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile 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-1H-indol-2-ylmethylene)-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-1H-indol-2-ylmethylene)-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.