3-(4-Methylphenyl)adamantane-1-carboxylic acid
TL;DR: 3-(4-Methylphenyl)adamantane-1-carboxylic acid (CAS 56531-69-2) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)adamantane-1-carboxylic acid
Also Known As: 3-(4-methylphenyl)adamantane-1-carboxylic acid, 3-(p-Tolyl)adamantane-1-carboxylic acid, 1-(p-Tolyl)-3-adamantanecarboxylic acid, 1-(p-tolyl)-3-adamantanecarboxylicaci, 3-p-Tolyl-adamantane-1-carboxylic acid
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 56531-69-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O |
| InChIKey | UWPMIBVQZDSYNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Methylphenyl)adamantane-1-carboxylic acid (CAS 56531-69-2), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: 3-(4-methylphenyl)adamantane-1-carboxylic acid.
Chemical Property Profile of 3-(4-Methylphenyl)adamantane-1-carboxylic acid
Property Insights of 3-(4-Methylphenyl)adamantane-1-carboxylic acid
The XLogP value of 4.2 indicates that 3-(4-Methylphenyl)adamantane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Methylphenyl)adamantane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)adamantane-1-carboxylic acid has 1 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-(4-Methylphenyl)adamantane-1-carboxylic acid?
The CAS number of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is 56531-69-2.
What is the molecular formula of 3-(4-Methylphenyl)adamantane-1-carboxylic acid?
The molecular formula of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is C18H22O2.
What is the molecular weight of 3-(4-Methylphenyl)adamantane-1-carboxylic acid?
The molecular weight of 3-(4-Methylphenyl)adamantane-1-carboxylic acid is 270.16 g/mol.
Where can I buy 3-(4-Methylphenyl)adamantane-1-carboxylic acid?
You can request a quote for 3-(4-Methylphenyl)adamantane-1-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-(4-Methylphenyl)adamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)adamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.