5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole
TL;DR: 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole (CAS 3414-72-0) is a chemical compound with molecular formula C20H22N4O2 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-benzylpiperazin-1-yl)methyl]-5-nitro-1H-indole
Also Known As: 3-((4-Benzylpiperazinyl)methyl)-5-nitroindole, 3-morpholin-4-ylmethyl-5-nitro-indole, INDOLE, 3-((4-BENZYLPIPERAZINYL)METHYL)-5-NITRO-, 3-[(4-benzylpiperazin-1-yl)methyl]-5-nitro-1H-indole, 5-23-03-00064 (Beilstein Handbook Reference)
| Molecular Formula | C20H22N4O2 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1743 |
| Heavy Atoms | 26 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 3414-72-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)[N+](=O)[O-] |
| InChIKey | PKVAMSCYQLIVLR-UHFFFAOYSA-N |
Product Overview
5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole (CAS 3414-72-0), with molecular formula C20H22N4O2 and molecular weight 350.17 g/mol. IUPAC: 3-[(4-benzylpiperazin-1-yl)methyl]-5-nitro-1H-indole.
Chemical Property Profile of 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole
Property Insights of 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole
The XLogP value of 3.0 indicates that 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole. Following Lipinski's Rule of Five, 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole has 1 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 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole?
The CAS number of 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole is 3414-72-0.
What is the molecular formula of 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole?
The molecular formula of 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole is C20H22N4O2.
What is the molecular weight of 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole?
The molecular weight of 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole is 350.17 g/mol.
Where can I buy 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole?
You can request a quote for 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-3-((4-(phenylmethyl)-1-piperazinyl)methyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.