3-Fluoroadamantane-1-carboxylic acid
TL;DR: 3-Fluoroadamantane-1-carboxylic acid (CAS 880-50-2) is a chemical compound with molecular formula C11H15FO2 and molecular weight 198.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoroadamantane-1-carboxylic acid
Also Known As: 3-fluoroadamantane-1-carboxylic acid, 1-Fluoro-3-adamantanecarboxylic acid, 3-Fluoro-1-adamantanecarboxylic acid, 1-Fluoro-3-adamantanecarboxylicacid, 3-fluoroadamantane-1-carboxylicacid
| Molecular Formula | C11H15FO2 |
|---|---|
| Molecular Weight | 198.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.1056 |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 880-50-2 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)F)C(=O)O |
| InChIKey | SJULXDNAWKQQEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluoroadamantane-1-carboxylic acid (CAS 880-50-2), with molecular formula C11H15FO2 and molecular weight 198.11 g/mol. IUPAC: 3-fluoroadamantane-1-carboxylic acid.
Chemical Property Profile of 3-Fluoroadamantane-1-carboxylic acid
Property Insights of 3-Fluoroadamantane-1-carboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoroadamantane-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Fluoroadamantane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoroadamantane-1-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-Fluoroadamantane-1-carboxylic acid?
The CAS number of 3-Fluoroadamantane-1-carboxylic acid is 880-50-2.
What is the molecular formula of 3-Fluoroadamantane-1-carboxylic acid?
The molecular formula of 3-Fluoroadamantane-1-carboxylic acid is C11H15FO2.
What is the molecular weight of 3-Fluoroadamantane-1-carboxylic acid?
The molecular weight of 3-Fluoroadamantane-1-carboxylic acid is 198.11 g/mol.
Where can I buy 3-Fluoroadamantane-1-carboxylic acid?
You can request a quote for 3-Fluoroadamantane-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-Fluoroadamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoroadamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.