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2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile
TL;DR: 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile (CAS 65037-75-4) 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-3-yl)methylidene]propanedinitrile
Also Known As: 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile, 2-[(1-methylindol-3-yl)methylidene]propanedinitrile, BAS 02273497, [(1-methyl-1H-indol-3-yl)methylene]malononitrile, 2-[(1-methyl-1H-indol-3-yl)methylene]malononitrile
| Molecular Formula | C13H9N3 |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.07965 |
| Heavy Atoms | 16 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 65037-75-4 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)C=C(C#N)C#N |
| InChIKey | ZVHTWMGONKMROW-UHFFFAOYSA-N |
Product Overview
2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile (CAS 65037-75-4), with molecular formula C13H9N3 and molecular weight 207.08 g/mol. IUPAC: 2-[(1-methylindol-3-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile
Property Insights of 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 52.5 Ų, 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile 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-3-yl)methylidene]propanedinitrile?
The CAS number of 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile is 65037-75-4.
What is the molecular formula of 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile?
The molecular formula of 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile is C13H9N3.
What is the molecular weight of 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile?
The molecular weight of 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile is 207.08 g/mol.
Where can I buy 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile?
You can request a quote for 2-[(1-methyl-1H-indol-3-yl)methylidene]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-1H-indol-3-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.