2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide
TL;DR: 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide (CAS 39038-32-9) is a chemical compound with molecular formula C20H20N4O and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylpiperazin-1-yl)methyl]-2-oxido-4-aza-2-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
Also Known As: NCIStruc1_001882, NCIStruc2_001343, NCI60_001375, 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide, 2-((4-methyl-1-piperazinyl)methyl)-15-indeno[1,2,3-de]quinazolin-1-ol
| Molecular Formula | C20H20N4O |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.1637 |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 39038-32-9 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=NC3=CC=CC4=C3C(=[N+]2[O-])C5=CC=CC=C45 |
| InChIKey | YIQDJLNMGMFEOP-UHFFFAOYSA-N |
Product Overview
2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide (CAS 39038-32-9), with molecular formula C20H20N4O and molecular weight 332.16 g/mol. IUPAC: 3-[(4-methylpiperazin-1-yl)methyl]-2-oxido-4-aza-2-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.
Chemical Property Profile of 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide
Property Insights of 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide. With a topological polar surface area (TPSA) of 44.8 Ų, 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide 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 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide?
The CAS number of 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide is 39038-32-9.
What is the molecular formula of 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide?
The molecular formula of 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide is C20H20N4O.
What is the molecular weight of 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide?
The molecular weight of 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide is 332.16 g/mol.
Where can I buy 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide?
You can request a quote for 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4'-Methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.