TL;DR: Statine deriv. (CAS 161510-47-0) is a chemical compound with molecular formula C49H54N6O6 and molecular weight 822.41046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Also Known As: Statine deriv., Statine deriv. 24, Tle-Val-Sta, 5PhBuCOOH deriv., Trp-Val-Sta, 5PhBuCOOH deriv.
| Molecular Formula | C49H54N6O6 |
| Molecular Weight | 822.41046 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 174.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 822.41046 Da |
| Heavy Atoms | 61 |
| Complexity | 1340.0 |
| 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](CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5)O)NCC6=CC=CC=C6 |
| InChIKey | VKHXZIVZQNBARO-LMXAYPQSSA-N |
The XLogP value of 7.0 indicates that Statine deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 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 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Statine deriv. is 161510-47-0.
The molecular formula of Statine deriv. is C49H54N6O6.
The molecular weight of Statine deriv. is 822.41046 g/mol.
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