(S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
TL;DR: (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate (CAS 1164512-42-8) is a chemical compound with molecular formula C20H25N3O3S and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
Also Known As: (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate, tert-butyl 2-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate, tert-butyl 2-[5-((2E)-3-phenylprop-2-enylthio)(1,3,4-oxadiazol-2-yl)](2S)pyrro lidinecarboxylate
| Molecular Formula | C20H25N3O3S |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 4.9471 |
| Topological Polar Surface Area | 68.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.16165 |
| Heavy Atoms | 27 |
| Complexity | 783.26965 |
Chemical Identifiers
| CAS Number | 1164512-42-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SC/C=C/C3=CC=CC=C3 |
Product Overview
(S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate (CAS 1164512-42-8), with molecular formula C20H25N3O3S and molecular weight 387.16 g/mol. IUPAC: tert-butyl (2S)-2-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate.
Chemical Property Profile of (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
Property Insights of (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
The XLogP value of 4.9471 indicates that (S,E)-tert-butyl 2-(5-(cinnamylthio)-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 68.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate. Following Lipinski's Rule of Five, (S,E)-tert-butyl 2-(5-(cinnamylthio)-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
Frequently Asked Questions
What is the CAS number of (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The CAS number of (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is 1164512-42-8.
What is the molecular formula of (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The molecular formula of (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is C20H25N3O3S.
What is the molecular weight of (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
The molecular weight of (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate is 387.16 g/mol.
Where can I buy (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
You can request a quote for (S,E)-tert-butyl 2-(5-(cinnamylthio)-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,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S,E)-tert-butyl 2-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.