(S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
TL;DR: (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate (CAS 1173676-53-3) is a chemical compound with molecular formula C15H23N3O5S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
Also Known As: (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
| Molecular Formula | C15H23N3O5S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 2.7968 |
| Topological Polar Surface Area | 94.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.13583 |
| Heavy Atoms | 24 |
| Complexity | 583.9098 |
Chemical Identifiers
| CAS Number | 1173676-53-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(O1)[C@@H]2CCCN2C(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate (CAS 1173676-53-3), with molecular formula C15H23N3O5S and molecular weight 357.14 g/mol. IUPAC: tert-butyl (2S)-2-[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate.
Chemical Property Profile of (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
Property Insights of (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
The XLogP value of 2.7968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate. The TPSA of 94.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate has 0 hydrogen bond donor(s) and 8 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 (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The CAS number of (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is 1173676-53-3.
What is the molecular formula of (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The molecular formula of (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is C15H23N3O5S.
What is the molecular weight of (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The molecular weight of (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is 357.14 g/mol.
Where can I buy (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
You can request a quote for (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-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 (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl 2-(5-((2-ethoxy-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.