TL;DR: Haloperidol-succinylglycyliodotyrosine (CAS 113579-02-5) is a chemical compound with molecular formula C36H38ClFIN3O8 and molecular weight 819.13776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[2-[[4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxy-3-(125I)iodophenyl)propanoic acid
Also Known As: HSGTI, Haloperidol-succinylglycyliodotyrosine, (2S)-2-[[2-[[4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxy-3-iodanylphenyl)propanoic acid, (2S)-2-[[2-[[4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxy-3-(125I)iodanylphenyl)propanoic acid, L-Tyrosine, N-(N-(4-((4-(-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl)oxy)-1,4-dioxobutyl)glycyl)-3-(iodo-125I)-
| Molecular Formula | C36H38ClFIN3O8 |
| Molecular Weight | 819.13776 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 819.13776 Da |
| Heavy Atoms | 50 |
| Complexity | 1160.0 |
| SMILES | C1CN(CCC1(C2=CC=C(C=C2)Cl)OC(=O)CCC(=O)NCC(=O)N[C@@H](CC3=CC(=C(C=C3)O)[125I])C(=O)O)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | XHKXCHGHXOESJD-SMBCXQLFSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Haloperidol-succinylglycyliodotyrosine. The TPSA of 162.0 Ų indicates high polarity, suggesting Haloperidol-succinylglycyliodotyrosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Haloperidol-succinylglycyliodotyrosine has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Haloperidol-succinylglycyliodotyrosine is 113579-02-5.
The molecular formula of Haloperidol-succinylglycyliodotyrosine is C36H38ClFIN3O8.
The molecular weight of Haloperidol-succinylglycyliodotyrosine is 819.13776 g/mol.
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