Fenethylline Hydrochloride
TL;DR: Fenethylline Hydrochloride (CAS 1892-80-4) is a chemical compound with molecular formula C18H24ClN5O2 and molecular weight 377.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione;hydrochloride
Also Known As: Fenethylline hydrochloride, Biocapton, Fenetylline, Fenethylline HCl, Captagon hydrochloride
| Molecular Formula | C18H24ClN5O2 |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 1.08 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.16187 |
| Heavy Atoms | 26 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 1892-80-4 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl |
| InChIKey | MVXGSLGVWBVZCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fenethylline Hydrochloride (CAS 1892-80-4), with molecular formula C18H24ClN5O2 and molecular weight 377.16 g/mol. IUPAC: 1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione;hydrochloride.
Chemical Property Profile of Fenethylline Hydrochloride
Property Insights of Fenethylline Hydrochloride
The XLogP value of 1.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fenethylline Hydrochloride. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Fenethylline Hydrochloride. Following Lipinski's Rule of Five, Fenethylline Hydrochloride has 2 hydrogen bond donor(s) and 4 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 Fenethylline Hydrochloride?
The CAS number of Fenethylline Hydrochloride is 1892-80-4.
What is the molecular formula of Fenethylline Hydrochloride?
The molecular formula of Fenethylline Hydrochloride is C18H24ClN5O2.
What is the molecular weight of Fenethylline Hydrochloride?
The molecular weight of Fenethylline Hydrochloride is 377.16 g/mol.
Where can I buy Fenethylline Hydrochloride?
You can request a quote for Fenethylline Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fenethylline Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Fenethylline Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.