5-Hydroxybucindolol
TL;DR: 5-Hydroxybucindolol (CAS 6338-02-9) is a chemical compound with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxy-3-[[1-(5-hydroxy-1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile
Also Known As: 5-Hydroxybucindolol, 2-(2-hydroxy-3-{[1-(5-hydroxy-1h-indol-3-yl)-2-methylpropan-2-yl]amino}propoxy)benzonitrile, 2-[2-hydroxy-3-[[1-(5-hydroxy-1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile, 2-{2-Hydroxy-3-[2-(5-hydroxy-1H-indol-3-yl)-1,1-dimethyl-ethylamino]-propoxy}-benzonitrile, Benzonitrile, 2-(2-hydroxy-3-((2-(5-hydroxy-1H-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)-
| Molecular Formula | C22H25N3O3 |
|---|---|
| Molecular Weight | 379.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.1896 |
| Heavy Atoms | 28 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 6338-02-9 |
|---|---|
| SMILES | CC(C)(CC1=CNC2=C1C=C(C=C2)O)NCC(COC3=CC=CC=C3C#N)O |
| InChIKey | RLHZDXDBSDXXNX-UHFFFAOYSA-N |
Product Overview
5-Hydroxybucindolol (CAS 6338-02-9), with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol. IUPAC: 2-[2-hydroxy-3-[[1-(5-hydroxy-1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile.
Chemical Property Profile of 5-Hydroxybucindolol
Property Insights of 5-Hydroxybucindolol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxybucindolol. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxybucindolol. Following Lipinski's Rule of Five, 5-Hydroxybucindolol has 4 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 5-Hydroxybucindolol?
The CAS number of 5-Hydroxybucindolol is 6338-02-9.
What is the molecular formula of 5-Hydroxybucindolol?
The molecular formula of 5-Hydroxybucindolol is C22H25N3O3.
What is the molecular weight of 5-Hydroxybucindolol?
The molecular weight of 5-Hydroxybucindolol is 379.19 g/mol.
Where can I buy 5-Hydroxybucindolol?
You can request a quote for 5-Hydroxybucindolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxybucindolol?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxybucindolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.