(S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate (CAS 1173683-65-2) is a chemical compound with molecular formula C25H25ClN4O4S and molecular weight 512.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate, tert-butyl [(1S)-1-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate, tert-butyl N-[(1S)-1-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
| Molecular Formula | C25H25ClN4O4S |
|---|---|
| Molecular Weight | 512.13 g/mol |
| LogP | 5.9878 |
| Topological Polar Surface Area | 110.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.1285 |
| Heavy Atoms | 35 |
| Complexity | 1327.2488 |
Chemical Identifiers
| CAS Number | 1173683-65-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C3=NN=C(O3)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
(S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate (CAS 1173683-65-2), with molecular formula C25H25ClN4O4S and molecular weight 512.13 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate
The XLogP value of 5.9878 indicates that (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-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 110.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate has 2 hydrogen bond donor(s) and 7 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-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate is 1173683-65-2.
What is the molecular formula of (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate is C25H25ClN4O4S.
What is the molecular weight of (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate is 512.13 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-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-((2-(4-chlorophenyl)-2-oxoethyl)thio)-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-((2-(4-chlorophenyl)-2-oxoethyl)thio)-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.