3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole
TL;DR: 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole (CAS 3414-71-9) is a chemical compound with molecular formula C14H18N4O2 and molecular weight 274.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1H-indole
Also Known As: acid diethyl ester, 3-((4-METHYLPIPERAZIN-1-YL)METHYL)-5-NITRO-1H-INDOLE, 3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1H-indole, 3-morpholin-4-ylmethyl-5-nitro-indole, 3-((4-Methyl-1-piperazinyl)methyl)-5-nitroindole
| Molecular Formula | C14H18N4O2 |
|---|---|
| Molecular Weight | 274.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.14297 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 3414-71-9 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-] |
| InChIKey | VGUWZCUCNQXGBU-UHFFFAOYSA-N |
Product Overview
3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole (CAS 3414-71-9), with molecular formula C14H18N4O2 and molecular weight 274.14 g/mol. IUPAC: 3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1H-indole.
Chemical Property Profile of 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole
Property Insights of 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole. Following Lipinski's Rule of Five, 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-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 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole?
The CAS number of 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole is 3414-71-9.
What is the molecular formula of 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole?
The molecular formula of 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole is C14H18N4O2.
What is the molecular weight of 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole?
The molecular weight of 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole is 274.14 g/mol.
Where can I buy 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole?
You can request a quote for 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Methylpiperazin-1-YL)methyl)-5-nitro-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.