TL;DR: Statine deriv. (CAS 161510-54-9) is a chemical compound with molecular formula C40H55N5O6 and molecular weight 701.4152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Statine deriv., Statine deriv. 35, Val-Val-Sta, 5PhBuCOOH deriv., (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((tert-butyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide, (2R,3R,4S)-N-[2-(Benzylamino)-4-[[N-[(tert-butyloxy)carbonyl]valyl]amino]-3-hydroxy-5- phenylpentanoyl]valine benzylamide
| Molecular Formula | C40H55N5O6 |
| Molecular Weight | 701.4152 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 701.4152 Da |
| Heavy Atoms | 51 |
| Complexity | 1080.0 |
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)NC(C(C)C)C(=O)NCC2=CC=CC=C2)NCC3=CC=CC=C3)O)NC(=O)OC(C)(C)C |
| InChIKey | ULCLWNYLBCRHKU-MHQZJQMASA-N |
The XLogP value of 5.7 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 161510-54-9.
The molecular formula of Statine deriv. is C40H55N5O6.
The molecular weight of Statine deriv. is 701.4152 g/mol.
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