IFLab1_002794
TL;DR: IFLab1_002794 (CAS 484694-53-3) is a chemical compound with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Also Known As: IFLab1_002794, 1-(2-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethan-1-one, F0594-0025, 1-(2-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone, 2-methyl-1-{[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
| Molecular Formula | C16H19N3O2S |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 3.2297 |
| Topological Polar Surface Area | 59.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1198 |
| Heavy Atoms | 22 |
| Complexity | 629.331 |
Chemical Identifiers
| CAS Number | 484694-53-3 |
|---|---|
| SMILES | CC1CCCCN1C(=O)CSC2=NN=C(O2)C3=CC=CC=C3 |
Product Overview
IFLab1_002794 (CAS 484694-53-3), with molecular formula C16H19N3O2S and molecular weight 317.12 g/mol. IUPAC: 1-(2-methylpiperidin-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of IFLab1_002794
Property Insights of IFLab1_002794
The XLogP value of 3.2297 indicates that IFLab1_002794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.23 Ų, IFLab1_002794 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_002794 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 IFLab1_002794?
The CAS number of IFLab1_002794 is 484694-53-3.
What is the molecular formula of IFLab1_002794?
The molecular formula of IFLab1_002794 is C16H19N3O2S.
What is the molecular weight of IFLab1_002794?
The molecular weight of IFLab1_002794 is 317.12 g/mol.
Where can I buy IFLab1_002794?
You can request a quote for IFLab1_002794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002794?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.