(S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate (CAS 1173668-21-7) is a chemical compound with molecular formula C18H24FN3O3S and molecular weight 381.15225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate, tert-butyl N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
Technical Specifications
| Molecular Formula | C18H24FN3O3S |
| Molecular Weight | 381.15225 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.15225 Da |
| Heavy Atoms | 26 |
| Complexity | 453.0 |
| SMILES | CC(C)[C@@H](C1=NN=C(O1)SCC2=CC=C(C=C2)F)NC(=O)OC(C)(C)C |
| InChIKey | HNAYPSAFINQZEF-AWEZNQCLSA-N |
Chemical Property Profile of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
The XLogP value of 4.1 indicates that (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 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)-2-methylpropyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)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
What is the CAS number of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is 1173668-21-7.
What is the molecular formula of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is C18H24FN3O3S.
What is the molecular weight of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is 381.15225 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.