![[3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid structure](/static/products/5128/512809-80-2.webp)
[3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid
TL;DR: [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid (CAS 512809-80-2) is a chemical compound with molecular formula C17H24N2O2 and molecular weight 288.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]acetic acid
Also Known As: [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid, BAS 12322702, 2-(3-(3,5-Dimethyl-1H-pyrazol-4-yl)adamantan-1-yl)acetic acid, 2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]acetic acid, [3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]acetic acid
| Molecular Formula | C17H24N2O2 |
|---|---|
| Molecular Weight | 288.18 g/mol |
| LogP | 3.33924 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.18378 |
| Heavy Atoms | 21 |
| Complexity | 570.43134 |
Chemical Identifiers
| CAS Number | 512809-80-2 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)C23CC4CC(C2)CC(C4)(C3)CC(=O)O |
Product Overview
[3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid (CAS 512809-80-2), with molecular formula C17H24N2O2 and molecular weight 288.18 g/mol. IUPAC: 2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]acetic acid.
Chemical Property Profile of [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid
Property Insights of [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid
The XLogP value of 3.33924 indicates that [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid. Following Lipinski's Rule of Five, [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid has 2 hydrogen bond donor(s) and 2 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-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid?
The CAS number of [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid is 512809-80-2.
What is the molecular formula of [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid?
The molecular formula of [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid is C17H24N2O2.
What is the molecular weight of [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid?
The molecular weight of [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid is 288.18 g/mol.
Where can I buy [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid?
You can request a quote for [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [3-(3,5-Dimethyl-1H-pyrazol-4-yl)-adamantan-1-yl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.