2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile
TL;DR: 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile (CAS 381189-29-3) is a chemical compound with molecular formula C17H14ClN3 and molecular weight 295.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloroanilino)methyl]-1-methylindole-3-carbonitrile
Also Known As: BAS 01511044, 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile, 2-[(3-chloroanilino)methyl]-1-methylindole-3-carbonitrile, 2-{[(3-chlorophenyl)amino]methyl}-1-methyl-1H-indole-3-carbonitrile, 2-[(3-chloroanilino)methyl]-1-methyl-1H-indole-3-carbonitrile
| Molecular Formula | C17H14ClN3 |
|---|---|
| Molecular Weight | 295.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08762 |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 381189-29-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CNC3=CC(=CC=C3)Cl)C#N |
| InChIKey | MCDXCQWMXCZZHT-UHFFFAOYSA-N |
Product Overview
2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile (CAS 381189-29-3), with molecular formula C17H14ClN3 and molecular weight 295.09 g/mol. IUPAC: 2-[(3-chloroanilino)methyl]-1-methylindole-3-carbonitrile.
Chemical Property Profile of 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile
Property Insights of 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile
The XLogP value of 3.9 indicates that 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile has 1 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-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile?
The CAS number of 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile is 381189-29-3.
What is the molecular formula of 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile?
The molecular formula of 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile is C17H14ClN3.
What is the molecular weight of 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile?
The molecular weight of 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile is 295.09 g/mol.
Where can I buy 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile?
You can request a quote for 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((3-chlorophenyl)amino)methyl)-1-methyl-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.