tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 843634-63-9) is a chemical compound with molecular formula C17H21BrN4O6S and molecular weight 488.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl {2-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfonyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate, tert-butyl N-[2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
| Molecular Formula | C17H21BrN4O6S |
|---|---|
| Molecular Weight | 488.04 g/mol |
| LogP | 2.3117 |
| Topological Polar Surface Area | 140.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.03653 |
| Heavy Atoms | 29 |
| Complexity | 966.5545 |
Chemical Identifiers
| CAS Number | 843634-63-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC1=NN=C(O1)S(=O)(=O)CC(=O)NC2=CC=C(C=C2)Br |
Product Overview
tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 843634-63-9), with molecular formula C17H21BrN4O6S and molecular weight 488.04 g/mol. IUPAC: tert-butyl N-[2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 2.3117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. The TPSA of 140.49 Ų indicates high polarity, suggesting tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate has 2 hydrogen bond donor(s) and 8 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 tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 843634-63-9.
What is the molecular formula of tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C17H21BrN4O6S.
What is the molecular weight of tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 488.04 g/mol.
Where can I buy tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-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 tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.