4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one
TL;DR: 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one (CAS 384368-99-4) is a chemical compound with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2-one
Also Known As: 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one, BIM-0039044.P001, 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2-one, 4-(1-azepanyl)-3-nitro-1-phenyl-2(1H)-quinolinone, 4-AZEPAN-1-YL-3-NITRO-1-PHENYL-1H-QUINOLIN-2-ONE
| Molecular Formula | C21H21N3O3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 4.2793 |
| Topological Polar Surface Area | 68.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.1583 |
| Heavy Atoms | 27 |
| Complexity | 1035.7163 |
Chemical Identifiers
| CAS Number | 384368-99-4 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one (CAS 384368-99-4), with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol. IUPAC: 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2-one.
Chemical Property Profile of 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one
Property Insights of 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one
The XLogP value of 4.2793 indicates that 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one. Following Lipinski's Rule of Five, 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one 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 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one?
The CAS number of 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one is 384368-99-4.
What is the molecular formula of 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one?
The molecular formula of 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one is C21H21N3O3.
What is the molecular weight of 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one?
The molecular weight of 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one is 363.16 g/mol.
Where can I buy 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one?
You can request a quote for 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(azepan-1-yl)-3-nitro-1-phenylquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.