TL;DR: 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-(((4-methoxyphenyl)amino)thiocarbonyl)hydrazide (CAS 116989-61-8) is a chemical compound with molecular formula C24H20N6O2S and molecular weight 456.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-3-(4-methoxyphenyl)thiourea
Also Known As: 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-(((4-methoxyphenyl)amino)thiocarbonyl)hydrazide, 1-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-3-(4-methoxyphenyl)thiourea, 2-[(6H-Indolo[2,3-b]quinoxalin-6-yl)acetyl]-N-(4-methoxyphenyl)hydrazine-1-carbothioamide
| Molecular Formula | C24H20N6O2S |
| Molecular Weight | 456.13684 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.13684 Da |
| Heavy Atoms | 33 |
| Complexity | 702.0 |
| SMILES | COC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3C4=NC5=CC=CC=C5N=C42 |
| InChIKey | NFLDUVSXEFIGJT-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-(((4-methoxyphenyl)amino)thiocarbonyl)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-(((4-methoxyphenyl)amino)thiocarbonyl)hydrazide. Following Lipinski's Rule of Five, 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-(((4-methoxyphenyl)amino)thiocarbonyl)hydrazide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-(((4-methoxyphenyl)amino)thiocarbonyl)hydrazide is 116989-61-8.
The molecular formula of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-(((4-methoxyphenyl)amino)thiocarbonyl)hydrazide is C24H20N6O2S.
The molecular weight of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-(((4-methoxyphenyl)amino)thiocarbonyl)hydrazide is 456.13684 g/mol.
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