(S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 1164520-26-6) is a chemical compound with molecular formula C20H26N4O3S and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
Also Known As: (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, [(S)-2-(1H-Indol-3-yl)-1-(5-isopropylsulfanyl-[1,3,4]oxadiazol-2-yl)-ethyl]-carbamic acid tert-butyl ester, tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
| Molecular Formula | C20H26N4O3S |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 4.8599 |
| Topological Polar Surface Area | 93.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.17258 |
| Heavy Atoms | 28 |
| Complexity | 942.22845 |
Chemical Identifiers
| CAS Number | 1164520-26-6 |
|---|---|
| SMILES | CC(C)SC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 1164520-26-6), with molecular formula C20H26N4O3S and molecular weight 402.17 g/mol. IUPAC: tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 4.8599 indicates that (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate has 2 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 (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 1164520-26-6.
What is the molecular formula of (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C20H26N4O3S.
What is the molecular weight of (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 402.17 g/mol.
Where can I buy (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)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 (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.