(S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1173667-77-0) is a chemical compound with molecular formula C22H24FN3O3S and molecular weight 429.15225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate, tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Technical Specifications
| Molecular Formula | C22H24FN3O3S |
| Molecular Weight | 429.15225 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.15225 Da |
| Heavy Atoms | 30 |
| Complexity | 542.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)SCC3=CC(=CC=C3)F |
| InChIKey | AOZRINSAAVCDFF-SFHVURJKSA-N |
Chemical Property Profile of (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
The XLogP value of 4.7 indicates that (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)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-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)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-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 1173667-77-0.
What is the molecular formula of (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is C22H24FN3O3S.
What is the molecular weight of (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 429.15225 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)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-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(5-((3-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.