1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one
TL;DR: 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one (CAS 314040-27-2) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one
Also Known As: ChemDiv1_021376, BAS 01403774, 1,3,3-trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one, 1,3,3-Trimethyl-4-(3-nitro-benzoyl)-3,4-dihydro-1H-quinoxalin-2-one, 1,3,3-trimethyl-4-(3-nitrobenzoyl)-3,4-dihydroquinoxalin-2(1H)-one
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 314040-27-2 |
|---|---|
| SMILES | CC1(C(=O)N(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C |
| InChIKey | NISJTNNYIYXNTE-UHFFFAOYSA-N |
Product Overview
1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one (CAS 314040-27-2), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: 1,3,3-trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one.
Chemical Property Profile of 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one
Property Insights of 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one. Following Lipinski's Rule of Five, 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-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 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one?
The CAS number of 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one is 314040-27-2.
What is the molecular formula of 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one?
The molecular formula of 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one is C18H17N3O4.
What is the molecular weight of 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one?
The molecular weight of 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one is 339.12 g/mol.
Where can I buy 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one?
You can request a quote for 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Trimethyl-4-(3-nitrobenzoyl)quinoxalin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.