TL;DR: Terlakiren (CAS 119625-78-4) is a chemical compound with molecular formula C31H48N4O7S and molecular weight 620.32434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl (2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2R)-3-methylsulfanyl-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoyl]amino]butanoate
Also Known As: Terlakiren, Terlakirene, Terlakireno, terlakirenum, cp-80,794
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C31H48N4O7S |
| Molecular Weight | 620.32434 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 620.32434 Da |
| Heavy Atoms | 43 |
| Complexity | 889.0 |
| SMILES | CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N3CCOCC3)O |
| InChIKey | UZQBKCWYZBHBOW-YIPNQBBMSA-N |
The XLogP value of 3.8 indicates that Terlakiren is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting Terlakiren may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Terlakiren has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Terlakiren is 119625-78-4.
The molecular formula of Terlakiren is C31H48N4O7S.
The molecular weight of Terlakiren is 620.32434 g/mol.
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