Bamifylline hydrochloride
TL;DR: Bamifylline hydrochloride (CAS 20684-06-4) is a chemical compound with molecular formula C20H28ClN5O3 and molecular weight 421.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: Bamifylline hydrochloride, Bamifylline HCl, Trentadil, Pulmac, Briofil
| Molecular Formula | C20H28ClN5O3 |
|---|---|
| Molecular Weight | 421.19 g/mol |
| LogP | 0.76 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.18808 |
| Heavy Atoms | 29 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 20684-06-4 |
|---|---|
| SMILES | CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO.Cl |
| InChIKey | PDBXHPORMXSXKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bamifylline hydrochloride (CAS 20684-06-4), with molecular formula C20H28ClN5O3 and molecular weight 421.19 g/mol. IUPAC: 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of Bamifylline hydrochloride
Property Insights of Bamifylline hydrochloride
The XLogP value of 0.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bamifylline hydrochloride. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Bamifylline hydrochloride. Following Lipinski's Rule of Five, Bamifylline hydrochloride has 2 hydrogen bond donor(s) and 5 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 Bamifylline hydrochloride?
The CAS number of Bamifylline hydrochloride is 20684-06-4.
What is the molecular formula of Bamifylline hydrochloride?
The molecular formula of Bamifylline hydrochloride is C20H28ClN5O3.
What is the molecular weight of Bamifylline hydrochloride?
The molecular weight of Bamifylline hydrochloride is 421.19 g/mol.
Where can I buy Bamifylline hydrochloride?
You can request a quote for Bamifylline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bamifylline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Bamifylline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.