Bometolol
TL;DR: Bometolol (CAS 65008-93-7) is a chemical compound with molecular formula C25H32N2O7 and molecular weight 472.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
Also Known As: Bometolol, Bometololum, Bometolol [INN], Bometololum [INN-Latin], BOMETOLOL [JAN]
| Molecular Formula | C25H32N2O7 |
|---|---|
| Molecular Weight | 472.22 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 472.22095 |
| Heavy Atoms | 34 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 65008-93-7 |
|---|---|
| SMILES | CC(=O)COC1=C2C(=C(C=C1)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)CCC(=O)N2 |
| InChIKey | IXJJPGSXJXQFGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bometolol (CAS 65008-93-7), with molecular formula C25H32N2O7 and molecular weight 472.22 g/mol. IUPAC: 5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one.
Chemical Property Profile of Bometolol
Property Insights of Bometolol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bometolol. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bometolol. Following Lipinski's Rule of Five, Bometolol has 3 hydrogen bond donor(s) and 8 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 Bometolol?
The CAS number of Bometolol is 65008-93-7.
What is the molecular formula of Bometolol?
The molecular formula of Bometolol is C25H32N2O7.
What is the molecular weight of Bometolol?
The molecular weight of Bometolol is 472.22 g/mol.
Where can I buy Bometolol?
You can request a quote for Bometolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bometolol?
Yes, KEHONG BIO provides custom synthesis services for Bometolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.