贝凡洛尔
TL;DR: 贝凡洛尔 (CAS 59170-23-9) is a chemical compound with molecular formula C20H27NO4 and molecular weight 345.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
贝凡洛尔
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
Also Known As: Bevantolol, Bevantololum, Calvan, (+-)-bevantolol, Bevantolol HCl
| Molecular Formula | C20H27NO4 |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 345.194 |
| Heavy Atoms | 25 |
| Complexity | 355.0 |
| Melting Point | 137-138 °C |
| Solubility | 1.37e-02 g/L |
Chemical Identifiers
| CAS Number | 59170-23-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O |
| InChIKey | HXLAFSUPPDYFEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
贝凡洛尔 (CAS 59170-23-9), with molecular formula C20H27NO4 and molecular weight 345.19 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol.
Chemical Property Profile of 贝凡洛尔
Property Insights of 贝凡洛尔
The XLogP value of 3.0 indicates that 贝凡洛尔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 贝凡洛尔. Following Lipinski's Rule of Five, 贝凡洛尔 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 贝凡洛尔?
The CAS number of 贝凡洛尔 is 59170-23-9.
What is the molecular formula of 贝凡洛尔?
The molecular formula of 贝凡洛尔 is C20H27NO4.
What is the molecular weight of 贝凡洛尔?
The molecular weight of 贝凡洛尔 is 345.19 g/mol.
Where can I buy 贝凡洛尔?
You can request a quote for 贝凡洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 贝凡洛尔?
Yes, KEHONG BIO provides custom synthesis services for 贝凡洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.