TL;DR: 1-(N-(2-Hydroxy-5-azidobenzoyl)-2-aminoethyl)-4-(N-hydroxysuccinimidyl)succinate (CAS 131483-43-7) is a chemical compound with molecular formula C17H16IN5O8 and molecular weight 543.0045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-[2-[(5-azido-2-hydroxy-3-(125I)iodobenzoyl)amino]ethyl] 4-O-(2,5-dioxopyrrolidin-1-yl) butanedioate
Also Known As: HAHS, 1-(N-(2-Hydroxy-5-azidobenzoyl)-2-aminoethyl)-4-(N-hydroxysuccinimidyl)succinate, 1-O-[2-[(5-azido-2-hydroxy-3-iodanylbenzoyl)amino]ethyl] 4-O-(2,5-dioxopyrrolidin-1-yl) butanedioate, 2-[5-Azido-2-hydroxy-3-(~125~I)iodobenzamido]ethyl 2,5-dioxopyrrolidin-1-yl butanedioate, 1-O-[2-[(5-azido-2-hydroxy-3-(125I)iodanylbenzoyl)amino]ethyl] 4-O-(2,5-dioxopyrrolidin-1-yl) butanedioate
| Molecular Formula | C17H16IN5O8 |
| Molecular Weight | 543.0045 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 543.0045 Da |
| Heavy Atoms | 31 |
| Complexity | 770.0 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)CCC(=O)OCCNC(=O)C2=C(C(=CC(=C2)N=[N+]=[N-])[125I])O |
| InChIKey | HATJHXCDGADERG-HGTLKWEASA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(N-(2-Hydroxy-5-azidobenzoyl)-2-aminoethyl)-4-(N-hydroxysuccinimidyl)succinate. The TPSA of 154.0 Ų indicates high polarity, suggesting 1-(N-(2-Hydroxy-5-azidobenzoyl)-2-aminoethyl)-4-(N-hydroxysuccinimidyl)succinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(N-(2-Hydroxy-5-azidobenzoyl)-2-aminoethyl)-4-(N-hydroxysuccinimidyl)succinate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(N-(2-Hydroxy-5-azidobenzoyl)-2-aminoethyl)-4-(N-hydroxysuccinimidyl)succinate is 131483-43-7.
The molecular formula of 1-(N-(2-Hydroxy-5-azidobenzoyl)-2-aminoethyl)-4-(N-hydroxysuccinimidyl)succinate is C17H16IN5O8.
The molecular weight of 1-(N-(2-Hydroxy-5-azidobenzoyl)-2-aminoethyl)-4-(N-hydroxysuccinimidyl)succinate is 543.0045 g/mol.
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