tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
TL;DR: tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate (CAS 1046079-26-8) is a chemical compound with molecular formula C11H17N3O3S and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
Also Known As: starbld0046024, tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate, (S)-tert-butyl 2-(5-mercapto-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate, tert-Butyl (S)-2-(5-mercapto-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
| Molecular Formula | C11H17N3O3S |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 2.80419 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.09906 |
| Heavy Atoms | 18 |
| Complexity | 488.21313 |
Chemical Identifiers
| CAS Number | 1046079-26-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C2=NNC(=S)O2 |
Product Overview
tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate (CAS 1046079-26-8), with molecular formula C11H17N3O3S and molecular weight 271.10 g/mol. IUPAC: tert-butyl (2S)-2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate.
Chemical Property Profile of tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
Property Insights of tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
The XLogP value of 2.80419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate. The TPSA of 71.36 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate has 1 hydrogen bond donor(s) and 5 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 tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The CAS number of tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is 1046079-26-8.
What is the molecular formula of tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The molecular formula of tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is C11H17N3O3S.
What is the molecular weight of tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The molecular weight of tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is 271.10 g/mol.
Where can I buy tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
You can request a quote for tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2S)-2-(5-sulfanyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.