1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole
TL;DR: 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole (CAS 204445-25-0) is a chemical compound with molecular formula C20H24N2S and molecular weight 324.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylsulfanyl-2-adamantyl)-3-phenylpyrazole
Also Known As: 1-(2-methylsulfanyl-2-adamantyl)-3-phenylpyrazole, methyl 2-(3-phenyl-1H-pyrazol-1-yl)-2-adamantyl sulfide
| Molecular Formula | C20H24N2S |
|---|---|
| Molecular Weight | 324.17 g/mol |
| LogP | 5.022 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.16602 |
| Heavy Atoms | 23 |
| Complexity | 677.4416 |
Chemical Identifiers
| CAS Number | 204445-25-0 |
|---|---|
| SMILES | CSC1(C2CC3CC(C2)CC1C3)N4C=CC(=N4)C5=CC=CC=C5 |
Product Overview
1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole (CAS 204445-25-0), with molecular formula C20H24N2S and molecular weight 324.17 g/mol. IUPAC: 1-(2-methylsulfanyl-2-adamantyl)-3-phenylpyrazole.
Chemical Property Profile of 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole
Property Insights of 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole
The XLogP value of 5.022 indicates that 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole?
The CAS number of 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole is 204445-25-0.
What is the molecular formula of 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole?
The molecular formula of 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole is C20H24N2S.
What is the molecular weight of 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole?
The molecular weight of 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole is 324.17 g/mol.
Where can I buy 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole?
You can request a quote for 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylsulfanyl-2-adamantyl)-3-phenylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.