![1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone structure](/static/products/778/778589-71-2.png)
1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
TL;DR: 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone (CAS 778589-71-2) is a chemical compound with molecular formula C15H21N3OS and molecular weight 291.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(1-adamantyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(Adamantan-1-yl)-2-(4-methyl-4H-1,2,4-triazol-3-ylsulfanyl)ethanone, 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone, 1-(adamantan-1-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
| Molecular Formula | C15H21N3OS |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 2.6927 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.14053 |
| Heavy Atoms | 20 |
| Complexity | 503.69165 |
Chemical Identifiers
| CAS Number | 778589-71-2 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone (CAS 778589-71-2), with molecular formula C15H21N3OS and molecular weight 291.14 g/mol. IUPAC: 1-(1-adamantyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
Property Insights of 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
The XLogP value of 2.6927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone. With a topological polar surface area (TPSA) of 47.78 Ų, 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone has 0 hydrogen bond donor(s) and 4 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-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone?
The CAS number of 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone is 778589-71-2.
What is the molecular formula of 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone?
The molecular formula of 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone is C15H21N3OS.
What is the molecular weight of 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone?
The molecular weight of 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone is 291.14 g/mol.
Where can I buy 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone?
You can request a quote for 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantan-1-yl-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.