TL;DR: N,N'-bis(BenzyloxycarbonylIle)-2,4-diamino-1,5-diphenyl-3-pentanol (CAS 129467-46-5) is a chemical compound with molecular formula C45H56N4O7 and molecular weight 764.4149 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S,3S)-1-[[(2S,4S)-3-hydroxy-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
Also Known As: NN'(BzOCIle)-2,4diAm-1,5diPh-3pentanol, N,N'-bis(BenzyloxycarbonylIle)-2,4-diamino-1,5-diphenyl-3-pentanol, L-Arabinitol, 1,2,4,5-tetradeoxy-2,4-bis((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)pentyl)amino)-1,5-diphenyl-, (2(2S,3S),4(2S,3S))-, benzyl N-[(1S,2S)-1-[[(1S,3S)-1-benzyl-3-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-2-hydroxy-4-phenyl-butyl]carbamoyl]-2-methyl-butyl]carbamate, BENZYL N-[(1S,2S)-1-{[(2S,4S)-4-[(2S,3S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHYLPENTANAMIDO]-3-HYDROXY-1,5-DIPHENYLPENTAN-2-YL]CARBAMOYL}-2-METHYLBUTYL]CARBAMATE
| Molecular Formula | C45H56N4O7 |
| Molecular Weight | 764.4149 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 764.4149 Da |
| Heavy Atoms | 56 |
| Complexity | 1080.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C([C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)OCC3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | LQPDKQGAIOYVHK-WGQIWHIRSA-N |
The XLogP value of 8.2 indicates that N,N'-bis(BenzyloxycarbonylIle)-2,4-diamino-1,5-diphenyl-3-pentanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting N,N'-bis(BenzyloxycarbonylIle)-2,4-diamino-1,5-diphenyl-3-pentanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-bis(BenzyloxycarbonylIle)-2,4-diamino-1,5-diphenyl-3-pentanol has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N'-bis(BenzyloxycarbonylIle)-2,4-diamino-1,5-diphenyl-3-pentanol is 129467-46-5.
The molecular formula of N,N'-bis(BenzyloxycarbonylIle)-2,4-diamino-1,5-diphenyl-3-pentanol is C45H56N4O7.
The molecular weight of N,N'-bis(BenzyloxycarbonylIle)-2,4-diamino-1,5-diphenyl-3-pentanol is 764.4149 g/mol.
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