1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)-
TL;DR: 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)- (CAS 313972-96-2) is a chemical compound with molecular formula C20H20N4 and molecular weight 316.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile
Also Known As: 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)-, 2-(4-phenylpiperazin-1-ylmethyl)indole-5-carbonitrile, J1.446.201E, 2-(4-Phenylpiperazinomethyl)-1H-indole-5-carbonitrile, 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile
| Molecular Formula | C20H20N4 |
|---|---|
| Molecular Weight | 316.17 g/mol |
| LogP | 3.36178 |
| Topological Polar Surface Area | 46.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.1688 |
| Heavy Atoms | 24 |
| Complexity | 867.5403 |
Chemical Identifiers
| CAS Number | 313972-96-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(N2)C=CC(=C3)C#N)C4=CC=CC=C4 |
Product Overview
1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)- (CAS 313972-96-2), with molecular formula C20H20N4 and molecular weight 316.17 g/mol. IUPAC: 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile.
Chemical Property Profile of 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)-
Property Insights of 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)-
The XLogP value of 3.36178 indicates that 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.06 Ų, 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)- has 1 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 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)-?
The CAS number of 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)- is 313972-96-2.
What is the molecular formula of 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)-?
The molecular formula of 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)- is C20H20N4.
What is the molecular weight of 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)-?
The molecular weight of 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)- is 316.17 g/mol.
Where can I buy 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)-?
You can request a quote for 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-5-carbonitrile, 2-((4-phenyl-1-piperazinyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.