6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one
TL;DR: 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one (CAS 249736-97-8) is a chemical compound with molecular formula C12H9F3N2O5 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3-nitro-4-(trifluoromethyl)-1H-quinolin-2-one
Also Known As: J1.192.974E, 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one, 6,7-Dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2-ol, 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)-1H-quinolin-2-one, 6,7-Dimethoxy-3-nitro-4-trifluoromethyl-2-(1H)-quinolone
| Molecular Formula | C12H9F3N2O5 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 2.4723 |
| Topological Polar Surface Area | 94.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04636 |
| Heavy Atoms | 22 |
| Complexity | 812.9846 |
Chemical Identifiers
| CAS Number | 249736-97-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=C(C(=O)N2)[N+](=O)[O-])C(F)(F)F)OC |
Product Overview
6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one (CAS 249736-97-8), with molecular formula C12H9F3N2O5 and molecular weight 318.05 g/mol. IUPAC: 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)-1H-quinolin-2-one.
Chemical Property Profile of 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one
Property Insights of 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one
The XLogP value of 2.4723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one. The TPSA of 94.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one. Following Lipinski's Rule of Five, 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one has 1 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 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one?
The CAS number of 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one is 249736-97-8.
What is the molecular formula of 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one?
The molecular formula of 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one is C12H9F3N2O5.
What is the molecular weight of 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one?
The molecular weight of 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one is 318.05 g/mol.
Where can I buy 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one?
You can request a quote for 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-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 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-3-nitro-4-(trifluoromethyl)quinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.