Bucindolol hydrochloride
TL;DR: Bucindolol hydrochloride (CAS 70369-47-0) is a chemical compound with molecular formula C22H26ClN3O2 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile;hydrochloride
Also Known As: Bucindolol hydrochloride, Gencaro, Bucindolol, Bucindolol HCl, Bucindolol (hydrochloride)
| Molecular Formula | C22H26ClN3O2 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 3.81 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.17136 |
| Heavy Atoms | 28 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 70369-47-0 |
|---|---|
| SMILES | CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O.Cl |
| InChIKey | NCEAPFRHADKEHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bucindolol hydrochloride (CAS 70369-47-0), with molecular formula C22H26ClN3O2 and molecular weight 399.17 g/mol. IUPAC: 2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile;hydrochloride.
Chemical Property Profile of Bucindolol hydrochloride
Property Insights of Bucindolol hydrochloride
The XLogP value of 3.81 indicates that Bucindolol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bucindolol hydrochloride. Following Lipinski's Rule of Five, Bucindolol hydrochloride has 4 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 Bucindolol hydrochloride?
The CAS number of Bucindolol hydrochloride is 70369-47-0.
What is the molecular formula of Bucindolol hydrochloride?
The molecular formula of Bucindolol hydrochloride is C22H26ClN3O2.
What is the molecular weight of Bucindolol hydrochloride?
The molecular weight of Bucindolol hydrochloride is 399.17 g/mol.
Where can I buy Bucindolol hydrochloride?
You can request a quote for Bucindolol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bucindolol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Bucindolol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.