3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one
TL;DR: 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one (CAS 127136-40-7) is a chemical compound with molecular formula C26H27N3O2 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1H-benzo[g]quinolin-4-one
Also Known As: 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one, 3-({4-Hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl}methyl)benzo[g]quinolin-4(1H)-one, 3-({4-hydroxy-3-[(4-methylpiperazinyl)methyl]phenyl}methyl)benzo[g]quinolin-4- ol, 3-[[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1H-benzo[g]quinolin-4-one
| Molecular Formula | C26H27N3O2 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.21033 |
| Heavy Atoms | 31 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 127136-40-7 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C=CC(=C2)CC3=CNC4=CC5=CC=CC=C5C=C4C3=O)O |
| InChIKey | XGWOBGNVJLRKCS-UHFFFAOYSA-N |
Product Overview
3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one (CAS 127136-40-7), with molecular formula C26H27N3O2 and molecular weight 413.21 g/mol. IUPAC: 3-[[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1H-benzo[g]quinolin-4-one.
Chemical Property Profile of 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one
Property Insights of 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one
The XLogP value of 4.0 indicates that 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one has 2 hydrogen bond donor(s) and 5 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-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one?
The CAS number of 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one is 127136-40-7.
What is the molecular formula of 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one?
The molecular formula of 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one is C26H27N3O2.
What is the molecular weight of 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one?
The molecular weight of 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one is 413.21 g/mol.
Where can I buy 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one?
You can request a quote for 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.