TL;DR: (E)-3-((4-methoxyphenyl)sulfonyl)-N1-(thiophen-2-ylmethylene)-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine (CAS 848060-43-5) is a chemical compound with molecular formula C22H17N5O3S2 and molecular weight 463.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxyphenyl)sulfonyl-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
Also Known As: (E)-3-((4-methoxyphenyl)sulfonyl)-N1-(thiophen-2-ylmethylene)-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine, 3-(4-methoxyphenyl)sulfonyl-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine, 3-[(4-methoxyphenyl)sulfonyl]-N~1~-[(E)-thiophen-2-ylmethylidene]-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine
| Molecular Formula | C22H17N5O3S2 |
| Molecular Weight | 463.07727 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.07727 Da |
| Heavy Atoms | 32 |
| Complexity | 783.0 |
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)/N=C/C5=CC=CS5)N |
| InChIKey | ZXQSSLMYLYAIGO-ZMOGYAJESA-N |
The XLogP value of 4.1 indicates that (E)-3-((4-methoxyphenyl)sulfonyl)-N1-(thiophen-2-ylmethylene)-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting (E)-3-((4-methoxyphenyl)sulfonyl)-N1-(thiophen-2-ylmethylene)-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-3-((4-methoxyphenyl)sulfonyl)-N1-(thiophen-2-ylmethylene)-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-3-((4-methoxyphenyl)sulfonyl)-N1-(thiophen-2-ylmethylene)-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine is 848060-43-5.
The molecular formula of (E)-3-((4-methoxyphenyl)sulfonyl)-N1-(thiophen-2-ylmethylene)-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine is C22H17N5O3S2.
The molecular weight of (E)-3-((4-methoxyphenyl)sulfonyl)-N1-(thiophen-2-ylmethylene)-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine is 463.07727 g/mol.
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