(S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate (CAS 1164529-54-7) is a chemical compound with molecular formula C18H24FN3O3S2 and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate, tert-butyl N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate
| Molecular Formula | C18H24FN3O3S2 |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 413.1243 |
| Heavy Atoms | 27 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 1164529-54-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCSC)C1=NN=C(O1)SCC2=CC=C(C=C2)F |
| InChIKey | IUPDJZIXYDOLRL-AWEZNQCLSA-N |
Product Overview
(S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate (CAS 1164529-54-7), with molecular formula C18H24FN3O3S2 and molecular weight 413.12 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
The XLogP value of 3.8 indicates that (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate has 1 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 (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is 1164529-54-7.
What is the molecular formula of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is C18H24FN3O3S2.
What is the molecular weight of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is 413.12 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)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-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.