(S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate (CAS 1173672-48-4) is a chemical compound with molecular formula C21H28N4O3S and molecular weight 416.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate, tert-butyl N-[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate
| Molecular Formula | C21H28N4O3S |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 5.2516 |
| Topological Polar Surface Area | 93.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.1882 |
| Heavy Atoms | 29 |
| Complexity | 944.70386 |
Chemical Identifiers
| CAS Number | 1173672-48-4 |
|---|---|
| SMILES | CCCCSC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate (CAS 1173672-48-4), with molecular formula C21H28N4O3S and molecular weight 416.19 g/mol. IUPAC: tert-butyl N-[(1S)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate
The XLogP value of 5.2516 indicates that (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-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 (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate is 1173672-48-4.
What is the molecular formula of (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate is C21H28N4O3S.
What is the molecular weight of (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate is 416.19 g/mol.
Where can I buy (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-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 (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(5-(butylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.