penbutolol
TL;DR: penbutolol (CAS 111581-91-0) is a chemical compound with molecular formula C36H60N2O8S and molecular weight 680.40704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol);sulfuric acid
Also Known As: penbutolol, PENBUTOLOL SULFATE, KST-1A9837, 2-(2-chloropyrimidin-4-yloxy)ethanol, 1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol sulfate(2:1)
Technical Specifications
| Molecular Formula | C36H60N2O8S |
| Molecular Weight | 680.40704 g/mol |
| XLogP | 6.2912 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 680.40704 Da |
| Heavy Atoms | 47 |
| Complexity | 375.0 |
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O.CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O.OS(=O)(=O)O |
| InChIKey | FEDSNBHHWZEYTP-UHFFFAOYSA-N |
Chemical Property Profile of penbutolol
Property Insights of penbutolol
The XLogP value of 6.2912 indicates that penbutolol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting penbutolol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, penbutolol has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of penbutolol?
The CAS number of penbutolol is 111581-91-0.
What is the molecular formula of penbutolol?
The molecular formula of penbutolol is C36H60N2O8S.
What is the molecular weight of penbutolol?
The molecular weight of penbutolol is 680.40704 g/mol.
Where can I buy penbutolol?
You can request a quote for penbutolol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for penbutolol?
Yes, CoreyChem provides custom synthesis services for penbutolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.