tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 896818-88-5) is a chemical compound with molecular formula C17H20ClN3O4S and molecular weight 397.09 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-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl [2-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate, TERT-BUTYL N-[2-(5-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-1,3,4-OXADIAZOL-2-YL)ETHYL]CARBAMATE, tert-butyl N-[2-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
| Molecular Formula | C17H20ClN3O4S |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 397.0863 |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 896818-88-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC1=NN=C(O1)SCC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | MWWKAJFDEFDDCJ-UHFFFAOYSA-N |
Product Overview
tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 896818-88-5), with molecular formula C17H20ClN3O4S and molecular weight 397.09 g/mol. IUPAC: tert-butyl N-[2-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 3.6 indicates that tert-butyl (2-(5-((2-(4-chlorophenyl)-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 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. Following Lipinski's Rule of Five, tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate has 1 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 tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 896818-88-5.
What is the molecular formula of tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C17H20ClN3O4S.
What is the molecular weight of tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 397.09 g/mol.
Where can I buy tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for tert-butyl (2-(5-((2-(4-chlorophenyl)-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 tert-butyl (2-(5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2-(5-((2-(4-chlorophenyl)-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.