1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
TL;DR: 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone (CAS 864917-65-7) is a chemical compound with molecular formula C17H21N3OS2 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone
Also Known As: 1-(azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone, F0698-0177, 1-(azepan-1-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone, 1-(azepan-1-yl)-2-{[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}ethan-1-one
| Molecular Formula | C17H21N3OS2 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 4.00822 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.1126 |
| Heavy Atoms | 23 |
| Complexity | 663.36304 |
Chemical Identifiers
| CAS Number | 864917-65-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NSC(=N2)SCC(=O)N3CCCCCC3 |
Product Overview
1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone (CAS 864917-65-7), with molecular formula C17H21N3OS2 and molecular weight 347.11 g/mol. IUPAC: 1-(azepan-1-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
Property Insights of 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
The XLogP value of 4.00822 indicates that 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-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-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone?
The CAS number of 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone is 864917-65-7.
What is the molecular formula of 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone?
The molecular formula of 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone is C17H21N3OS2.
What is the molecular weight of 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone?
The molecular weight of 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone is 347.11 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone?
You can request a quote for 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-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-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.