(S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
TL;DR: (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate (CAS 1173687-82-5) is a chemical compound with molecular formula C12H19N3O3S and molecular weight 285.11472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2S)-2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
Also Known As: BAS 13157148, (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-(5-methylthio(1,3,4-oxadiazol-2-yl))pyrrolidinecarboxylate, tert-butyl (2S)-2-[5-(methylthio)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
Technical Specifications
| Molecular Formula | C12H19N3O3S |
| Molecular Weight | 285.11472 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.11472 Da |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SC |
| InChIKey | HEOGZQYGRHKFOS-QMMMGPOBSA-N |
Chemical Property Profile of (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
Property Insights of (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, (S)-tert-butyl 2-(5-(methylthio)-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-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The CAS number of (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is 1173687-82-5.
What is the molecular formula of (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The molecular formula of (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is C12H19N3O3S.
What is the molecular weight of (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The molecular weight of (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is 285.11472 g/mol.
Where can I buy (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
You can request a quote for (S)-tert-butyl 2-(5-(methylthio)-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-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl 2-(5-(methylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.