(S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
TL;DR: (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate (CAS 1173661-83-0) is a chemical compound with molecular formula C20H27N3O3S and molecular weight 389.1773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2S)-2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
Also Known As: (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
Technical Specifications
| Molecular Formula | C20H27N3O3S |
| Molecular Weight | 389.1773 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.1773 Da |
| Heavy Atoms | 27 |
| Complexity | 513.0 |
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)[C@@H]3CCCN3C(=O)OC(C)(C)C |
| InChIKey | CEMZBFRVZPLWCM-INIZCTEOSA-N |
Chemical Property Profile of (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
Property Insights of (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
The XLogP value of 4.1 indicates that (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate has 0 hydrogen bond donor(s) and 6 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 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The CAS number of (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is 1173661-83-0.
What is the molecular formula of (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The molecular formula of (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is C20H27N3O3S.
What is the molecular weight of (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The molecular weight of (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is 389.1773 g/mol.
Where can I buy (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
You can request a quote for (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl 2-(5-((2,5-dimethylbenzyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.