Aptiganel Hydrochloride
TL;DR: Aptiganel Hydrochloride (CAS 137160-11-3) is a chemical compound with molecular formula C20H22ClN3 and molecular weight 339.15 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;hydrochloride
Also Known As: Cerestat, Aptiganel HCl, APTIGANEL HYDROCHLORIDE, Aptiganel, Cns 1102
| Molecular Formula | C20H22ClN3 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 4.91 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.15024 |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 137160-11-3 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N.Cl |
| InChIKey | CKAKVKWRMCAYJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aptiganel Hydrochloride (CAS 137160-11-3), with molecular formula C20H22ClN3 and molecular weight 339.15 g/mol. IUPAC: 1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine;hydrochloride.
Chemical Property Profile of Aptiganel Hydrochloride
Property Insights of Aptiganel Hydrochloride
The XLogP value of 4.91 indicates that Aptiganel Hydrochloride 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 Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aptiganel Hydrochloride has 2 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 Hydrochloride?
The CAS number of Aptiganel Hydrochloride is 137160-11-3.
What is the molecular formula of Aptiganel Hydrochloride?
The molecular formula of Aptiganel Hydrochloride is C20H22ClN3.
What is the molecular weight of Aptiganel Hydrochloride?
The molecular weight of Aptiganel Hydrochloride is 339.15 g/mol.
Where can I buy Aptiganel Hydrochloride?
You can request a quote for Aptiganel Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aptiganel Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Aptiganel Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.