5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide
TL;DR: 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide (CAS 841239-07-4) is a chemical compound with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
Also Known As: 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide, AP-853/43261192, 2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone, 2-{[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
| Molecular Formula | C13H16N4O3S |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 2.13762 |
| Topological Polar Surface Area | 85.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0943 |
| Heavy Atoms | 21 |
| Complexity | 618.4699 |
Chemical Identifiers
| CAS Number | 841239-07-4 |
|---|---|
| SMILES | CC1=CC(=NO1)C2=NN=C(O2)SCC(=O)N3CCCCC3 |
Product Overview
5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide (CAS 841239-07-4), with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol. IUPAC: 2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide
Property Insights of 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide
The XLogP value of 2.13762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide. The TPSA of 85.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide. Following Lipinski's Rule of Five, 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide has 0 hydrogen bond donor(s) and 7 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 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide?
The CAS number of 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide is 841239-07-4.
What is the molecular formula of 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide?
The molecular formula of 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide is C13H16N4O3S.
What is the molecular weight of 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide?
The molecular weight of 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide is 308.09 g/mol.
Where can I buy 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide?
You can request a quote for 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-methyl-3-isoxazolyl)-1,3,4-oxadiazol-2-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.