TL;DR: 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-chloro-, 2-(((4-ethoxyphenyl)amino)thioxomethyl)hydrazide (CAS 109322-14-7) is a chemical compound with molecular formula C25H21ClN6O2S and molecular weight 504.11353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]amino]-3-(2-ethoxyphenyl)thiourea
Also Known As: 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-chloro-, 2-(((4-ethoxyphenyl)amino)thioxomethyl)hydrazide, 1-[[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]amino]-3-(2-ethoxyphenyl)thiourea, 2-[(2-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-N-(2-ethoxyphenyl)hydrazine-1-carbothioamide, 6H-Indolo[2,3-b]quinoxaline-6-aceticacid, 2-chloro-, 2-[[(2-ethoxyphenyl)amino]thioxomethyl]hydrazide, 6H-Indolo[2,3-b]quinoxaline-6-aceticacid,2-chloro-,2-[[(2-ethoxyphenyl)amino]thioxomethyl]hydrazide
| Molecular Formula | C25H21ClN6O2S |
| Molecular Weight | 504.11353 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.11353 Da |
| Heavy Atoms | 35 |
| Complexity | 761.0 |
| SMILES | CCOC1=CC=CC=C1NC(=S)NNC(=O)CN2C3=CC=CC=C3C4=NC5=C(C=CC(=C5)Cl)N=C42 |
| InChIKey | LUDGTPBVBKKFIL-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-chloro-, 2-(((4-ethoxyphenyl)amino)thioxomethyl)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-chloro-, 2-(((4-ethoxyphenyl)amino)thioxomethyl)hydrazide. Following Lipinski's Rule of Five, 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-chloro-, 2-(((4-ethoxyphenyl)amino)thioxomethyl)hydrazide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-chloro-, 2-(((4-ethoxyphenyl)amino)thioxomethyl)hydrazide is 109322-14-7.
The molecular formula of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-chloro-, 2-(((4-ethoxyphenyl)amino)thioxomethyl)hydrazide is C25H21ClN6O2S.
The molecular weight of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 2-chloro-, 2-(((4-ethoxyphenyl)amino)thioxomethyl)hydrazide is 504.11353 g/mol.
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