Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
TL;DR: Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate (CAS 889940-75-4) is a chemical compound with molecular formula C12H19N3O3S and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxylate
Also Known As: tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate, AS-871/43475873, tert-butyl4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate, tert-butyl 4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxylate, tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-1-piperidinecarboxylate
| Molecular Formula | C12H19N3O3S |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 2.84669 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.11472 |
| Heavy Atoms | 19 |
| Complexity | 494.80817 |
Chemical Identifiers
| CAS Number | 889940-75-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C2=NNC(=S)O2 |
Product Overview
Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate (CAS 889940-75-4), with molecular formula C12H19N3O3S and molecular weight 285.11 g/mol. IUPAC: tert-butyl 4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
Property Insights of Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
The XLogP value of 2.84669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate. The TPSA of 71.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-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 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The CAS number of Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate is 889940-75-4.
What is the molecular formula of Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The molecular formula of Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate is C12H19N3O3S.
What is the molecular weight of Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The molecular weight of Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate is 285.11 g/mol.
Where can I buy Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
You can request a quote for Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-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 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.