3-Phenyl-1-adamantanecarboxylic acid
TL;DR: 3-Phenyl-1-adamantanecarboxylic acid (CAS 37589-22-3) is a chemical compound with molecular formula C17H20O2 and molecular weight 256.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyladamantane-1-carboxylic acid
Also Known As: 3-phenyladamantane-1-carboxylic acid, 1-Phenyl-3-adamantanecarboxylic acid, 3-phenyl-1-adamantanecarboxylic acid, 1-phenyl-3-adamantanecarboxylicaci, 3-Phenyl-adamantane-1-carboxylic acid
| Molecular Formula | C17H20O2 |
|---|---|
| Molecular Weight | 256.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.14633 |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 37589-22-3 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=CC=C4 |
| InChIKey | APWLCUAAISKVPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-1-adamantanecarboxylic acid (CAS 37589-22-3), with molecular formula C17H20O2 and molecular weight 256.15 g/mol. IUPAC: 3-phenyladamantane-1-carboxylic acid.
Chemical Property Profile of 3-Phenyl-1-adamantanecarboxylic acid
Property Insights of 3-Phenyl-1-adamantanecarboxylic acid
The XLogP value of 3.9 indicates that 3-Phenyl-1-adamantanecarboxylic 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-Phenyl-1-adamantanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1-adamantanecarboxylic 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-Phenyl-1-adamantanecarboxylic acid?
The CAS number of 3-Phenyl-1-adamantanecarboxylic acid is 37589-22-3.
What is the molecular formula of 3-Phenyl-1-adamantanecarboxylic acid?
The molecular formula of 3-Phenyl-1-adamantanecarboxylic acid is C17H20O2.
What is the molecular weight of 3-Phenyl-1-adamantanecarboxylic acid?
The molecular weight of 3-Phenyl-1-adamantanecarboxylic acid is 256.15 g/mol.
Where can I buy 3-Phenyl-1-adamantanecarboxylic acid?
You can request a quote for 3-Phenyl-1-adamantanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-1-adamantanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-1-adamantanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.