Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)-
TL;DR: Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)- (CAS 296797-60-9) is a chemical compound with molecular formula C16H20N4 and molecular weight 268.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indole-3-carbonitrile
Also Known As: TimTec1_000161, BRD-K66007336-001-01-4, 1-methyl-2-[(4-methylpiperazinyl)methyl]indole-3-carbonitrile, 1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indole-3-carbonitrile, Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)-
| Molecular Formula | C16H20N4 |
|---|---|
| Molecular Weight | 268.17 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.1688 |
| Heavy Atoms | 20 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 296797-60-9 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C3=CC=CC=C3N2C)C#N |
| InChIKey | PEFIVMPSAKGNOP-UHFFFAOYSA-N |
Product Overview
Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)- (CAS 296797-60-9), with molecular formula C16H20N4 and molecular weight 268.17 g/mol. IUPAC: 1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indole-3-carbonitrile.
Chemical Property Profile of Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)-
Property Insights of Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)-. With a topological polar surface area (TPSA) of 35.2 Ų, Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)- 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 Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)-?
The CAS number of Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)- is 296797-60-9.
What is the molecular formula of Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)-?
The molecular formula of Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)- is C16H20N4.
What is the molecular weight of Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)-?
The molecular weight of Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)- is 268.17 g/mol.
Where can I buy Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)-?
You can request a quote for Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Indole-3-carbonitrile, 1-methyl-2-(4-methyl-1-piperazinylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.