Adafenoxate
TL;DR: Adafenoxate (CAS 82168-26-1) is a chemical compound with molecular formula C20H26ClNO3 and molecular weight 363.16013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-adamantylamino)ethyl 2-(4-chlorophenoxy)acetate
Also Known As: Adafenoxate, Adafenoxato, Adafenoxatum, Adafenoxat, Adafenoxate [INN]
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H26ClNO3 |
| Molecular Weight | 363.16013 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.16013 Da |
| Heavy Atoms | 25 |
| Complexity | 434.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)NCCOC(=O)COC4=CC=C(C=C4)Cl |
| InChIKey | PLSMXIQMWYSHIV-UHFFFAOYSA-N |
Chemical Property Profile of Adafenoxate
Property Insights of Adafenoxate
The XLogP value of 4.7 indicates that Adafenoxate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Adafenoxate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adafenoxate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Adafenoxate?
The CAS number of Adafenoxate is 82168-26-1.
What is the molecular formula of Adafenoxate?
The molecular formula of Adafenoxate is C20H26ClNO3.
What is the molecular weight of Adafenoxate?
The molecular weight of Adafenoxate is 363.16013 g/mol.
Where can I buy Adafenoxate?
You can request a quote for Adafenoxate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adafenoxate?
Yes, CoreyChem provides custom synthesis services for Adafenoxate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.