3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one
TL;DR: 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one (CAS 540514-92-9) is a chemical compound with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylphenyl)-7-nitro-1H-quinoxaline-2,3-dione
Also Known As: 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one, 3-Hydroxy-6-nitro-1-(m-tolyl)quinoxalin-2(1H)-one, 4-(3-methylphenyl)-7-nitro-1H-quinoxaline-2,3-dione, 3-hydroxy-1-(3-methylphenyl)-6-nitro-1,2-dihydroquinoxalin-2-one, 4-(m-tolyl)-7-nitro-1H-quinoxaline-2,3-dione
| Molecular Formula | C15H11N3O4 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.89562 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.07495 |
| Heavy Atoms | 22 |
| Complexity | 1017.20667 |
Chemical Identifiers
| CAS Number | 540514-92-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)C2=O |
Product Overview
3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one (CAS 540514-92-9), with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol. IUPAC: 4-(3-methylphenyl)-7-nitro-1H-quinoxaline-2,3-dione.
Chemical Property Profile of 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one
Property Insights of 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one
The XLogP value of 1.89562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one. Following Lipinski's Rule of Five, 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one has 1 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 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one?
The CAS number of 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one is 540514-92-9.
What is the molecular formula of 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one?
The molecular formula of 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one is C15H11N3O4.
What is the molecular weight of 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one?
The molecular weight of 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one is 297.07 g/mol.
Where can I buy 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one?
You can request a quote for 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-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 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-1-(3-methylphenyl)-6-nitroquinoxalin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.