3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
TL;DR: 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS 401632-69-7) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-adamantyl)-1-phenylpyrazole-4-carboxylic acid
Also Known As: 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid, ZERO/001412, 3-(Adamantan-1-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid, 3-(1-adamantyl)-1-phenylpyrazole-4-carboxylic acid, 3-adamantanyl-1-phenylpyrazole-4-carboxylic acid
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 401632-69-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)O)C5=CC=CC=C5 |
| InChIKey | HJDASZASOCACNB-UHFFFAOYSA-N |
Product Overview
3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS 401632-69-7), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: 3-(1-adamantyl)-1-phenylpyrazole-4-carboxylic acid.
Chemical Property Profile of 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
Property Insights of 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 4.3 indicates that 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is 401632-69-7.
What is the molecular formula of 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is C20H22N2O2.
What is the molecular weight of 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is 322.17 g/mol.
Where can I buy 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Adamantyl)-1-phenyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.