Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl-
TL;DR: Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl- (CAS 328282-97-9) is a chemical compound with molecular formula C17H19N5 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-methylindole-3-carbonitrile
Also Known As: A1732/0073602, Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl-, 2-(4-Cyanomethyl-piperazin-1-ylmethyl)-1-methyl-1H-indole-3-carbonitrile, 2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-methylindole-3-carbonitrile, 2-{[4-(cyanomethyl)piperazinyl]methyl}-1-methylindole-3-carbonitrile
| Molecular Formula | C17H19N5 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.16403 |
| Heavy Atoms | 22 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 328282-97-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CN3CCN(CC3)CC#N)C#N |
| InChIKey | XBBSBWSDZWMCHG-UHFFFAOYSA-N |
Product Overview
Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl- (CAS 328282-97-9), with molecular formula C17H19N5 and molecular weight 293.16 g/mol. IUPAC: 2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-methylindole-3-carbonitrile.
Chemical Property Profile of Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl-
Property Insights of Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl-. With a topological polar surface area (TPSA) of 59.0 Ų, Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl- has 0 hydrogen bond donor(s) and 4 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, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl-?
The CAS number of Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl- is 328282-97-9.
What is the molecular formula of Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl-?
The molecular formula of Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl- is C17H19N5.
What is the molecular weight of Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl-?
The molecular weight of Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl- is 293.16 g/mol.
Where can I buy Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl-?
You can request a quote for Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl- 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, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Indole-3-carbonitrile, 2-(4-cyanomethyl-1-piperazinylmethyl)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.