3-Methyl-1H-indole-2-carbonitrile
TL;DR: 3-Methyl-1H-indole-2-carbonitrile (CAS 13006-59-2) is a chemical compound with molecular formula C10H8N2 and molecular weight 156.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1H-indole-2-carbonitrile
Also Known As: 3-Methyl-1H-indole-2-carbonitrile, 2-cyano-3-methylindole, 1H-Indole-2-carbonitrile, 3-methyl-, 1H-INDOLE-2-CARBONITRILE,3-METHYL-, 3-Methylindole-2-carbonitrile
| Molecular Formula | C10H8N2 |
|---|---|
| Molecular Weight | 156.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.06874 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 13006-59-2 |
|---|---|
| SMILES | CC1=C(NC2=CC=CC=C12)C#N |
| InChIKey | XOILSNZVQVLOED-UHFFFAOYSA-N |
Product Overview
3-Methyl-1H-indole-2-carbonitrile (CAS 13006-59-2), with molecular formula C10H8N2 and molecular weight 156.07 g/mol. IUPAC: 3-methyl-1H-indole-2-carbonitrile.
Chemical Property Profile of 3-Methyl-1H-indole-2-carbonitrile
Property Insights of 3-Methyl-1H-indole-2-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1H-indole-2-carbonitrile. With a topological polar surface area (TPSA) of 39.6 Ų, 3-Methyl-1H-indole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1H-indole-2-carbonitrile has 1 hydrogen bond donor(s) and 1 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 3-Methyl-1H-indole-2-carbonitrile?
The CAS number of 3-Methyl-1H-indole-2-carbonitrile is 13006-59-2.
What is the molecular formula of 3-Methyl-1H-indole-2-carbonitrile?
The molecular formula of 3-Methyl-1H-indole-2-carbonitrile is C10H8N2.
What is the molecular weight of 3-Methyl-1H-indole-2-carbonitrile?
The molecular weight of 3-Methyl-1H-indole-2-carbonitrile is 156.07 g/mol.
Where can I buy 3-Methyl-1H-indole-2-carbonitrile?
You can request a quote for 3-Methyl-1H-indole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1H-indole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1H-indole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.