TL;DR: 5-Moctggg (CAS 131274-04-9) is a chemical compound with molecular formula C24H26N4O11S and molecular weight 578.1319 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[[2-[[2-[[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanylcarbonylbenzoic acid
Also Known As: 5-Moctggg, 5-(N-Maleimido)-3-oxapentyl-(2-((3-carboxybenzoyl)thio)acetyl)glycyl-glycyl-glycinate, 3-[2-[[2-[[2-[[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanylcarbonylbenzoic acid, 2-[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethyl N-{[(3-carboxybenzoyl)sulfanyl]acetyl}glycylglycylglycinate, Glycine, N-(N-(N-(((3-carboxybenzoyl)thio)acetyl)glycyl)glycyl)-, 1-(2-(2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy)ethyl) ester
| Molecular Formula | C24H26N4O11S |
| Molecular Weight | 578.1319 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 240.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 578.1319 Da |
| Heavy Atoms | 40 |
| Complexity | 1010.0 |
| SMILES | C1=CC(=CC(=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)OCCOCCN2C(=O)C=CC2=O)C(=O)O |
| InChIKey | KJOMXZQEBSFPAK-UHFFFAOYSA-N |
The XLogP value of -1.1 indicates that 5-Moctggg is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.0 Ų indicates high polarity, suggesting 5-Moctggg may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Moctggg has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Moctggg is 131274-04-9.
The molecular formula of 5-Moctggg is C24H26N4O11S.
The molecular weight of 5-Moctggg is 578.1319 g/mol.
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