![1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](/static/products/6798/679804-38-7.webp)
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
TL;DR: 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 679804-38-7) is a chemical compound with molecular formula C20H22N4OS2 and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, AN-023/42399181, 1-(2-methylpiperidin-1-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 2-(2-methyl-1-piperidinyl)-2-oxoethyl 4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl sulfide
| Molecular Formula | C20H22N4OS2 |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 4.4889 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1235 |
| Heavy Atoms | 27 |
| Complexity | 892.1147 |
Chemical Identifiers
| CAS Number | 679804-38-7 |
|---|---|
| SMILES | CC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4 |
Product Overview
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 679804-38-7), with molecular formula C20H22N4OS2 and molecular weight 398.12 g/mol. IUPAC: 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Property Insights of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
The XLogP value of 4.4889 indicates that 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]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-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The CAS number of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 679804-38-7.
What is the molecular formula of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular formula of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is C20H22N4OS2.
What is the molecular weight of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular weight of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 398.12 g/mol.
Where can I buy 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
You can request a quote for 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]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-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.