Aptiganel
TL;DR: Aptiganel (CAS 137159-92-3) is a chemical compound with molecular formula C20H21N3 and molecular weight 303.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
Also Known As: Aptiganel, Aptiganel [INN], aptiganelum, Cerestat, Lopac-C-4238
| Molecular Formula | C20H21N3 |
|---|---|
| Molecular Weight | 303.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.17355 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 137159-92-3 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N |
| InChIKey | BFNCJMURTMZBTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aptiganel (CAS 137159-92-3), with molecular formula C20H21N3 and molecular weight 303.17 g/mol. IUPAC: 1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine.
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
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 303.17 g/mol.
Where can I buy Aptiganel?
You can request a quote for Aptiganel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aptiganel?
Yes, KEHONG BIO provides custom synthesis services for Aptiganel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.