1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
TL;DR: 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 461001-13-8) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
Also Known As: ChemDiv3_008788, IDI1_026698, BAS 03574636, 2-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one, BRD-A98081480-001-01-7
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 3.53812 |
| Topological Polar Surface Area | 59.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 685.9829 |
Chemical Identifiers
| CAS Number | 461001-13-8 |
|---|---|
| SMILES | CC1CCCCN1C(=O)CSC2=NN=C(O2)C3=CC=CC(=C3)C |
Product Overview
1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 461001-13-8), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
Property Insights of 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
The XLogP value of 3.53812 indicates that 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.23 Ų, 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone has 0 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 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The CAS number of 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 461001-13-8.
What is the molecular formula of 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular formula of 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is C17H21N3O2S.
What is the molecular weight of 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular weight of 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 331.14 g/mol.
Where can I buy 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
You can request a quote for 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylpiperidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.