Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate
TL;DR: Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate (CAS 193673-44-8) is a chemical compound with molecular formula C20H16N2O7 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate
Also Known As: dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate, Dimethyl (3-nitro-2-oxo-1-phenyl-1,2-dihydroquinolin-4-yl)propanedioate, 1,3-dimethyl 2-(3-nitro-2-oxo-1-phenyl-1,2-dihydroquinolin-4-yl)propanedioate, 2-[(1-Phenyl-2-oxo-3-nitro-1,2-dihydroquinolin)-4-yl]malonic acid dimethyl ester
| Molecular Formula | C20H16N2O7 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 2.3285 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.09576 |
| Heavy Atoms | 29 |
| Complexity | 1152.6584 |
Chemical Identifiers
| CAS Number | 193673-44-8 |
|---|---|
| SMILES | COC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate (CAS 193673-44-8), with molecular formula C20H16N2O7 and molecular weight 396.10 g/mol. IUPAC: dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate.
Chemical Property Profile of Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate
Property Insights of Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate
The XLogP value of 2.3285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate. Following Lipinski's Rule of Five, Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate has 0 hydrogen bond donor(s) and 7 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 Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate?
The CAS number of Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate is 193673-44-8.
What is the molecular formula of Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate?
The molecular formula of Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate is C20H16N2O7.
What is the molecular weight of Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate?
The molecular weight of Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate is 396.10 g/mol.
Where can I buy Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate?
You can request a quote for Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.