TL;DR: Lanreotide (CAS 108736-35-2) is a chemical compound with molecular formula C54H69N11O10S2 and molecular weight 1095.467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Also Known As: Lanreotide, Lanreotide acetate, Angiopeptin, Somatuline, Somatulin
| Molecular Formula | C54H69N11O10S2 |
| Molecular Weight | 1095.467 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 406.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 1095.467 Da |
| Heavy Atoms | 77 |
| Complexity | 2000.0 |
| SMILES | CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N |
| InChIKey | PUDHBTGHUJUUFI-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lanreotide. The TPSA of 406.0 Ų indicates high polarity, suggesting Lanreotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lanreotide has 13 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Lanreotide is 108736-35-2.
The molecular formula of Lanreotide is C54H69N11O10S2.
The molecular weight of Lanreotide is 1095.467 g/mol.
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