TL;DR: 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide (CAS 109322-17-0) is a chemical compound with molecular formula C24H19BrN6OS and molecular weight 518.0524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
Also Known As: 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide, 1-[[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-(4-methylphenyl)thiourea, 2-[(9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-N-(4-methylphenyl)hydrazine-1-carbothioamide, BRN 5671676
| Molecular Formula | C24H19BrN6OS |
| Molecular Weight | 518.0524 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.0524 Da |
| Heavy Atoms | 33 |
| Complexity | 719.0 |
| SMILES | CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42 |
| InChIKey | ROZCQPWTSXIFKO-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide. Following Lipinski's Rule of Five, 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide is 109322-17-0.
The molecular formula of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide is C24H19BrN6OS.
The molecular weight of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-bromo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide is 518.0524 g/mol.
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