4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one
TL;DR: 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one (CAS 689270-18-6) is a chemical compound with molecular formula C27H26N4O3 and molecular weight 454.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one
Also Known As: Feeblin, ChemDiv1_020746, BMS684, SLC15A4 inhibitor compound C5, BAS 00315425
| Molecular Formula | C27H26N4O3 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 4.3583 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.2005 |
| Heavy Atoms | 34 |
| Complexity | 1338.4221 |
Chemical Identifiers
| CAS Number | 689270-18-6 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one (CAS 689270-18-6), with molecular formula C27H26N4O3 and molecular weight 454.20 g/mol. IUPAC: 4-(4-benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one.
Chemical Property Profile of 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one
Property Insights of 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one
The XLogP value of 4.3583 indicates that 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one. Following Lipinski's Rule of Five, 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one has 0 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 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one?
The CAS number of 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one is 689270-18-6.
What is the molecular formula of 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one?
The molecular formula of 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one is C27H26N4O3.
What is the molecular weight of 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one?
The molecular weight of 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one is 454.20 g/mol.
Where can I buy 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one?
You can request a quote for 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.