TL;DR: 2-N-(t-Butyloxycarbonyl)amino-5S-(benzyloxycarbonyl)amino-4S-hydroxy-1-(4-((2-morpholinyl)ethoxy)phenyl)-6-phenyl-2-azahexane (CAS 163551-96-0) is a chemical compound with molecular formula C36H48N4O7 and molecular weight 648.3523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S,3S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-1-phenylbutan-2-yl]carbamate
Also Known As: 2-N-(t-Butyloxycarbonyl)amino-5S-(benzyloxycarbonyl)amino-4S-hydroxy-1-(4-((2-morpholinyl)ethoxy)phenyl)-6-phenyl-2-azahexane, benzyl N-[(2S,3S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-1-phenylbutan-2-yl]carbamate, tert-butyl 2-[(2s,3s)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]-2-[4-(2-morpholin-4-ylethoxy)benzyl]hydrazinecarboxylate, benzyl N-[(1S,2S)-1-benzyl-3-[(tert-butoxycarbonylamino)-[[4-(2-morpholinoethoxy)phenyl]methyl]amino]-2-hydroxy-propyl]carbamate, Hydrazinecarboxylicacid,2-[2-hydroxy-4-phenyl-3-[[(phenylmethoxy)carbonyl]amino]butyl]-2-[[4-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-,1,1-dimethylethyl ester, [S-(R*,R*)]- (9CI)
| Molecular Formula | C36H48N4O7 |
| Molecular Weight | 648.3523 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 648.3523 Da |
| Heavy Atoms | 47 |
| Complexity | 892.0 |
| SMILES | CC(C)(C)OC(=O)NN(CC1=CC=C(C=C1)OCCN2CCOCC2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O |
| InChIKey | FPXPKJPMVUUTFX-LQJZCPKCSA-N |
The XLogP value of 4.9 indicates that 2-N-(t-Butyloxycarbonyl)amino-5S-(benzyloxycarbonyl)amino-4S-hydroxy-1-(4-((2-morpholinyl)ethoxy)phenyl)-6-phenyl-2-azahexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-N-(t-Butyloxycarbonyl)amino-5S-(benzyloxycarbonyl)amino-4S-hydroxy-1-(4-((2-morpholinyl)ethoxy)phenyl)-6-phenyl-2-azahexane. Following Lipinski's Rule of Five, 2-N-(t-Butyloxycarbonyl)amino-5S-(benzyloxycarbonyl)amino-4S-hydroxy-1-(4-((2-morpholinyl)ethoxy)phenyl)-6-phenyl-2-azahexane has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-N-(t-Butyloxycarbonyl)amino-5S-(benzyloxycarbonyl)amino-4S-hydroxy-1-(4-((2-morpholinyl)ethoxy)phenyl)-6-phenyl-2-azahexane is 163551-96-0.
The molecular formula of 2-N-(t-Butyloxycarbonyl)amino-5S-(benzyloxycarbonyl)amino-4S-hydroxy-1-(4-((2-morpholinyl)ethoxy)phenyl)-6-phenyl-2-azahexane is C36H48N4O7.
The molecular weight of 2-N-(t-Butyloxycarbonyl)amino-5S-(benzyloxycarbonyl)amino-4S-hydroxy-1-(4-((2-morpholinyl)ethoxy)phenyl)-6-phenyl-2-azahexane is 648.3523 g/mol.
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