Aptiganel
TL;DR: Aptiganel (CAS 137159-92-3) is a chemical compound with molecular formula C20H21N3 and molecular weight 303.17355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
Also Known As: Aptiganel, Aptiganel [INN], aptiganelum, Cerestat, Lopac-C-4238
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H21N3 |
| Molecular Weight | 303.17355 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.17355 Da |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
| SMILES | CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N |
| InChIKey | BFNCJMURTMZBTE-UHFFFAOYSA-N |
Chemical Property Profile of Aptiganel
Property Insights of Aptiganel
The XLogP value of 4.6 indicates that Aptiganel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Aptiganel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aptiganel has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Aptiganel?
The CAS number of Aptiganel is 137159-92-3.
What is the molecular formula of Aptiganel?
The molecular formula of Aptiganel is C20H21N3.
What is the molecular weight of Aptiganel?
The molecular weight of Aptiganel is 303.17355 g/mol.
Where can I buy Aptiganel?
You can request a quote for Aptiganel directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aptiganel?
Yes, CoreyChem provides custom synthesis services for Aptiganel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.