Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 587001-73-8) is a chemical compound with molecular formula C16H20FN3O3S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl (2-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl)carbamate, tert-butyl N-[2-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
| Molecular Formula | C16H20FN3O3S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.5682 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.12094 |
| Heavy Atoms | 24 |
| Complexity | 685.20233 |
Chemical Identifiers
| CAS Number | 587001-73-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC1=NN=C(O1)SCC2=CC(=CC=C2)F |
Product Overview
Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 587001-73-8), with molecular formula C16H20FN3O3S and molecular weight 353.12 g/mol. IUPAC: tert-butyl N-[2-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 3.5682 indicates that Tert-butyl (2-(5-((3-fluorobenzyl)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-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. Following Lipinski's Rule of Five, Tert-butyl (2-(5-((3-fluorobenzyl)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-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 587001-73-8.
What is the molecular formula of Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C16H20FN3O3S.
What is the molecular weight of Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 353.12 g/mol.
Where can I buy Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for Tert-butyl (2-(5-((3-fluorobenzyl)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-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl (2-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.