tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 585550-03-4) is a chemical compound with molecular formula C16H19Cl2N3O3S and molecular weight 403.05 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-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl (2-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl)carbamate, {2-[5-(2,4-Dichloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-ethyl}-carbamic acid tert-butyl ester, N-(2-{5-[(2,4-dichlorophenyl)methylthio](1,3,4-oxadiazol-2-yl)}ethyl)(tert-but oxy)carboxamide, tert-butyl N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
| Molecular Formula | C16H19Cl2N3O3S |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 4.7359 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.05243 |
| Heavy Atoms | 25 |
| Complexity | 731.6553 |
Chemical Identifiers
| CAS Number | 585550-03-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC1=NN=C(O1)SCC2=C(C=C(C=C2)Cl)Cl |
Product Overview
tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 585550-03-4), with molecular formula C16H19Cl2N3O3S and molecular weight 403.05 g/mol. IUPAC: tert-butyl N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 4.7359 indicates that tert-butyl (2-(5-((2,4-dichlorobenzyl)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 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. Following Lipinski's Rule of Five, tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate has 1 hydrogen bond donor(s) and 6 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-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 585550-03-4.
What is the molecular formula of tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C16H19Cl2N3O3S.
What is the molecular weight of tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 403.05 g/mol.
Where can I buy tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for tert-butyl (2-(5-((2,4-dichlorobenzyl)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-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.