(S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1164562-83-7) is a chemical compound with molecular formula C17H23N3O3S and molecular weight 349.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate, N-[(1S)-1-(5-ethylthio(1,3,4-oxadiazol-2-yl))-2-phenylethyl](tert-butoxy)carbo xamide, tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate, [(S)-1-(5-Ethylsulfanyl-[1,3,4]oxadiazol-2-yl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester, REGID_for_CID_932679
| Molecular Formula | C17H23N3O3S |
|---|---|
| Molecular Weight | 349.15 g/mol |
| LogP | 3.9901 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.14603 |
| Heavy Atoms | 24 |
| Complexity | 652.6004 |
Chemical Identifiers
| CAS Number | 1164562-83-7 |
|---|---|
| SMILES | CCSC1=NN=C(O1)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1164562-83-7), with molecular formula C17H23N3O3S and molecular weight 349.15 g/mol. IUPAC: tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
The XLogP value of 3.9901 indicates that (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 1164562-83-7.
What is the molecular formula of (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is C17H23N3O3S.
What is the molecular weight of (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 349.15 g/mol.
Where can I buy (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.