4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one
TL;DR: 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one (CAS 328539-30-6) is a chemical compound with molecular formula C21H15N5O6 and molecular weight 433.10223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-anilino-3,5-dinitrobenzoyl)-1,3-dihydroquinoxalin-2-one
Also Known As: 4-(4-anilino-3,5-dinitrobenzoyl)-1,3-dihydroquinoxalin-2-one, 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one, F0126-0272, 4-{4-anilino-3,5-dinitrobenzoyl}-3,4-dihydro-2(1H)-quinoxalinone
Technical Specifications
| Molecular Formula | C21H15N5O6 |
| Molecular Weight | 433.10223 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.10223 Da |
| Heavy Atoms | 32 |
| Complexity | 722.0 |
| SMILES | C1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=CC=C4)[N+](=O)[O-] |
| InChIKey | QYBKXJGBOGXEHE-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one
Property Insights of 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one
The XLogP value of 3.7 indicates that 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one?
The CAS number of 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one is 328539-30-6.
What is the molecular formula of 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one?
The molecular formula of 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one is C21H15N5O6.
What is the molecular weight of 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one?
The molecular weight of 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one is 433.10223 g/mol.
Where can I buy 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one?
You can request a quote for 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one?
Yes, CoreyChem provides custom synthesis services for 4-(3,5-dinitro-4-(phenylamino)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.