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tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate structure
Fine Chemical

tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate

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

CAS Number
1173662-87-7
Molecular Formula
C17H22N4O4S
Molecular Weight
378.13617 g/mol
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Technical Specifications

Molecular FormulaC17H22N4O4S
Molecular Weight378.13617 g/mol
XLogP2.1
Topological Polar Surface Area (TPSA)146.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors7
Rotatable Bonds9
Exact Mass378.13617 Da
Heavy Atoms26
Complexity480.0
SMILESCC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)SCC(=O)N
InChIKeyMUVAGRGRFAXYPM-LBPRGKRZSA-N

Chemical Property Profile of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate

XLogP
2.1
TPSA (Topological Polar Surface Area)
146.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
Rotatable Bonds
9
Heavy Atoms
26
Complexity
480.0
Exact Mass
378.13617
Monoisotopic Mass
378.13617
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate

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.

Frequently Asked Questions

What is the CAS number of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate?

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.

What is the molecular formula of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate?

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.

What is the molecular weight of tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate?

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.

Where can I buy tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate?

You can request a quote for tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate?

Yes, CoreyChem provides custom synthesis services for tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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