比索洛尔
TL;DR: 比索洛尔 (CAS 66722-44-9) is a chemical compound with molecular formula C18H31NO4 and molecular weight 325.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
比索洛尔
1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
Also Known As: Bisoprololum, Bisocor, Concor, Bisoprolol fumarate, Zebeta
| Molecular Formula | C18H31NO4 |
|---|---|
| Molecular Weight | 325.23 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 325.2253 |
| Heavy Atoms | 23 |
| Complexity | 278.0 |
| Melting Point | 100-103 |
| Boiling Point | 445.0±45.0 |
| Solubility | 7.07e-02 g/L |
Chemical Identifiers
| CAS Number | 66722-44-9 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O |
| InChIKey | VHYCDWMUTMEGQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
比索洛尔 (CAS 66722-44-9), with molecular formula C18H31NO4 and molecular weight 325.23 g/mol. IUPAC: 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol.
Chemical Property Profile of 比索洛尔
Property Insights of 比索洛尔
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 比索洛尔. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 比索洛尔. Following Lipinski's Rule of Five, 比索洛尔 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 比索洛尔?
The CAS number of 比索洛尔 is 66722-44-9.
What is the molecular formula of 比索洛尔?
The molecular formula of 比索洛尔 is C18H31NO4.
What is the molecular weight of 比索洛尔?
The molecular weight of 比索洛尔 is 325.23 g/mol.
Where can I buy 比索洛尔?
You can request a quote for 比索洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 比索洛尔?
Yes, KEHONG BIO provides custom synthesis services for 比索洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.