4-Hydroxybevantolol
TL;DR: 4-Hydroxybevantolol (CAS 105566-69-6) is a chemical compound with molecular formula C20H27NO5 and molecular weight 361.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-methylphenol
Also Known As: 4-Hydroxybevantolol, Bevantolol metabolite III, 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-methylphenol, 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)-2-methylphenol, Phenol, 4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-2-methyl-
| Molecular Formula | C20H27NO5 |
|---|---|
| Molecular Weight | 361.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 361.18893 |
| Heavy Atoms | 26 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 105566-69-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O)O |
| InChIKey | WHRVLAOOFFVJBE-UHFFFAOYSA-N |
Product Overview
4-Hydroxybevantolol (CAS 105566-69-6), with molecular formula C20H27NO5 and molecular weight 361.19 g/mol. IUPAC: 4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-methylphenol.
Chemical Property Profile of 4-Hydroxybevantolol
Property Insights of 4-Hydroxybevantolol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybevantolol. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxybevantolol. Following Lipinski's Rule of Five, 4-Hydroxybevantolol has 3 hydrogen bond donor(s) and 6 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 4-Hydroxybevantolol?
The CAS number of 4-Hydroxybevantolol is 105566-69-6.
What is the molecular formula of 4-Hydroxybevantolol?
The molecular formula of 4-Hydroxybevantolol is C20H27NO5.
What is the molecular weight of 4-Hydroxybevantolol?
The molecular weight of 4-Hydroxybevantolol is 361.19 g/mol.
Where can I buy 4-Hydroxybevantolol?
You can request a quote for 4-Hydroxybevantolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxybevantolol?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxybevantolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.