1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one
TL;DR: 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one (CAS 91955-46-3) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(2-nitroprop-1-enyl)quinolin-2-one
Also Known As: 1-methyl-4-(2-nitroprop-1-enyl)quinolin-2-one, 1-methyl-4-[(E)-2-nitroprop-1-enyl]quinolin-2-one, 1-methyl-4-(2-nitroprop-1-en-1-yl)quinolin-2(1H)-one
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 91955-46-3 |
|---|---|
| SMILES | CC(=CC1=CC(=O)N(C2=CC=CC=C21)C)[N+](=O)[O-] |
| InChIKey | YDOGYDHXVQEEPG-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one (CAS 91955-46-3), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 1-methyl-4-(2-nitroprop-1-enyl)quinolin-2-one.
Chemical Property Profile of 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one
Property Insights of 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one. Following Lipinski's Rule of Five, 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one has 0 hydrogen bond donor(s) and 3 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 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one?
The CAS number of 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one is 91955-46-3.
What is the molecular formula of 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one?
The molecular formula of 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one is C13H12N2O3.
What is the molecular weight of 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one?
The molecular weight of 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one is 244.08 g/mol.
Where can I buy 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one?
You can request a quote for 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(2-nitroprop-1-enyl)quinolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.