TL;DR: tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate (CAS 1173662-87-7) is a chemical compound with molecular formula C17H22N4O4S and molecular weight 378.13617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Also Known As: tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate, (S)-tert-butyl (1-(5-((2-amino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate, [(S)-1-(5-Carbamoylmethylsulfanyl-[1,3,4]oxadiazol-2-yl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester, tert-Butyl [(1S)-1-{5-[(2-amino-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethyl]carbamate
| Molecular Formula | C17H22N4O4S |
| Molecular Weight | 378.13617 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 378.13617 Da |
| Heavy Atoms | 26 |
| Complexity | 480.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)SCC(=O)N |
| InChIKey | MUVAGRGRFAXYPM-LBPRGKRZSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate. The TPSA of 146.0 Ų indicates high polarity, suggesting tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate is 1173662-87-7.
The molecular formula of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate is C17H22N4O4S.
The molecular weight of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate is 378.13617 g/mol.
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