ChemDiv1_028591
TL;DR: ChemDiv1_028591 (CAS 312596-45-5) is a chemical compound with molecular formula C24H20FN3O4 and molecular weight 433.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorobenzoyl)-3,3-dimethyl-1-[(4-nitrophenyl)methyl]quinoxalin-2-one
Also Known As: ChemDiv1_028591, BIM-0036447.P001, AE-848/07782050, 4-(4-fluorobenzoyl)-3,3-dimethyl-1-[(4-nitrophenyl)methyl]quinoxalin-2-one, 4-(4-fluorobenzoyl)-1-{4-nitrobenzyl}-3,3-dimethyl-3,4-dihydro-2(1H)-quinoxalinone
| Molecular Formula | C24H20FN3O4 |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 4.7061 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.1438 |
| Heavy Atoms | 32 |
| Complexity | 1206.6738 |
Chemical Identifiers
| CAS Number | 312596-45-5 |
|---|---|
| SMILES | CC1(C(=O)N(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
ChemDiv1_028591 (CAS 312596-45-5), with molecular formula C24H20FN3O4 and molecular weight 433.14 g/mol. IUPAC: 4-(4-fluorobenzoyl)-3,3-dimethyl-1-[(4-nitrophenyl)methyl]quinoxalin-2-one.
Chemical Property Profile of ChemDiv1_028591
Property Insights of ChemDiv1_028591
The XLogP value of 4.7061 indicates that ChemDiv1_028591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028591. Following Lipinski's Rule of Five, ChemDiv1_028591 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 ChemDiv1_028591?
The CAS number of ChemDiv1_028591 is 312596-45-5.
What is the molecular formula of ChemDiv1_028591?
The molecular formula of ChemDiv1_028591 is C24H20FN3O4.
What is the molecular weight of ChemDiv1_028591?
The molecular weight of ChemDiv1_028591 is 433.14 g/mol.
Where can I buy ChemDiv1_028591?
You can request a quote for ChemDiv1_028591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028591?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.