(S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 1164494-94-3) is a chemical compound with molecular formula C17H21BrN4O4S and molecular weight 456.05 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-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl {(1S)-1-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate, tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
| Molecular Formula | C17H21BrN4O4S |
|---|---|
| Molecular Weight | 456.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.0467 |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 1164494-94-3 |
|---|---|
| SMILES | C[C@@H](C1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)Br)NC(=O)OC(C)(C)C |
| InChIKey | QZDWGYIWUMGMPB-JTQLQIEISA-N |
Product Overview
(S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 1164494-94-3), with molecular formula C17H21BrN4O4S and molecular weight 456.05 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 3.1 indicates that (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)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
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 1164494-94-3.
What is the molecular formula of (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C17H21BrN4O4S.
What is the molecular weight of (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 456.05 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-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 (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.