TL;DR: Statine deriv. (CAS 161510-40-3) is a chemical compound with molecular formula C42H57N5O6 and molecular weight 727.4309 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-(cyclohexylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Statine deriv., Statine deriv. 11, Tle-Val-Sta, 5PhBuCOOH deriv., Val-Val-Sta, 5PhBuCOOH deriv.
| Molecular Formula | C42H57N5O6 |
| Molecular Weight | 727.4309 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 727.4309 Da |
| Heavy Atoms | 53 |
| Complexity | 1110.0 |
| SMILES | CC(C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3)O)NC4CCCCC4 |
| InChIKey | BVBSTZCSKDVNIT-LOFFRUMASA-N |
The XLogP value of 7.1 indicates that Statine deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Statine deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Statine deriv. has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Statine deriv. is 161510-40-3.
The molecular formula of Statine deriv. is C42H57N5O6.
The molecular weight of Statine deriv. is 727.4309 g/mol.
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