4-(1-Adamantyl)-pyrazole
TL;DR: 4-(1-Adamantyl)-pyrazole (CAS 84396-62-3) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantyl)-1H-pyrazole
Also Known As: 4-(1-adamantyl)-pyrazole, 4-adamantanylpyrazole, 4-adamantylpyrazole, 4-(Adamantan-1-yl)-1H-pyrazole, 4-(1-adamantyl)-1H-pyrazole
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 84396-62-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CNN=C4 |
| InChIKey | KJMFWFDGPIISAX-UHFFFAOYSA-N |
Product Overview
4-(1-Adamantyl)-pyrazole (CAS 84396-62-3), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: 4-(1-adamantyl)-1H-pyrazole.
Chemical Property Profile of 4-(1-Adamantyl)-pyrazole
Property Insights of 4-(1-Adamantyl)-pyrazole
The XLogP value of 3.6 indicates that 4-(1-Adamantyl)-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 4-(1-Adamantyl)-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Adamantyl)-pyrazole has 1 hydrogen bond donor(s) and 1 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 4-(1-Adamantyl)-pyrazole?
The CAS number of 4-(1-Adamantyl)-pyrazole is 84396-62-3.
What is the molecular formula of 4-(1-Adamantyl)-pyrazole?
The molecular formula of 4-(1-Adamantyl)-pyrazole is C13H18N2.
What is the molecular weight of 4-(1-Adamantyl)-pyrazole?
The molecular weight of 4-(1-Adamantyl)-pyrazole is 202.15 g/mol.
Where can I buy 4-(1-Adamantyl)-pyrazole?
You can request a quote for 4-(1-Adamantyl)-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Adamantyl)-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Adamantyl)-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.