3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid
TL;DR: 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid (CAS 554422-85-4) is a chemical compound with molecular formula C18H21FO3 and molecular weight 304.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid
Also Known As: 3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid, 3-(2-Fluoro-4-methoxy-phenyl)-adamantane-1-carboxylic acid, 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylic Acid, 3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylicacid
| Molecular Formula | C18H21FO3 |
|---|---|
| Molecular Weight | 304.15 g/mol |
| LogP | 3.7569 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.14746 |
| Heavy Atoms | 22 |
| Complexity | 625.2195 |
Chemical Identifiers
| CAS Number | 554422-85-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O)F |
Product Overview
3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid (CAS 554422-85-4), with molecular formula C18H21FO3 and molecular weight 304.15 g/mol. IUPAC: 3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid.
Chemical Property Profile of 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid
Property Insights of 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid
The XLogP value of 3.7569 indicates that 3-(2-Fluoro-4-methoxyphenyl)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 46.53 Ų, 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Fluoro-4-methoxyphenyl)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-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid?
The CAS number of 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid is 554422-85-4.
What is the molecular formula of 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid?
The molecular formula of 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid is C18H21FO3.
What is the molecular weight of 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid?
The molecular weight of 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid is 304.15 g/mol.
Where can I buy 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid?
You can request a quote for 3-(2-Fluoro-4-methoxyphenyl)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-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.