Alprenolol benzoate
TL;DR: Alprenolol benzoate (CAS 67824-72-0) is a chemical compound with molecular formula C22H29NO4 and molecular weight 371.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
Also Known As: Alprenolol benzoate, ALPRENOLOL BENZOATE [MART.], ALPRENOLOL BENZOATE [WHO-DD], 1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol benzoate, 1-(O-ALLYLPHENOXY)-3-(ISOPROPYLAMINO)-2-PROPANOL BENZOATE
| Molecular Formula | C22H29NO4 |
|---|---|
| Molecular Weight | 371.21 g/mol |
| LogP | 3.5376 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 371.20966 |
| Heavy Atoms | 27 |
| Complexity | 685.7219 |
Chemical Identifiers
| CAS Number | 67824-72-0 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC=C1CC=C)O.C1=CC=C(C=C1)C(=O)O |
Product Overview
Alprenolol benzoate (CAS 67824-72-0), with molecular formula C22H29NO4 and molecular weight 371.21 g/mol. IUPAC: benzoic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol.
Chemical Property Profile of Alprenolol benzoate
Property Insights of Alprenolol benzoate
The XLogP value of 3.5376 indicates that Alprenolol benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Alprenolol benzoate. Following Lipinski's Rule of Five, Alprenolol benzoate has 3 hydrogen bond donor(s) and 4 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 Alprenolol benzoate?
The CAS number of Alprenolol benzoate is 67824-72-0.
What is the molecular formula of Alprenolol benzoate?
The molecular formula of Alprenolol benzoate is C22H29NO4.
What is the molecular weight of Alprenolol benzoate?
The molecular weight of Alprenolol benzoate is 371.21 g/mol.
Where can I buy Alprenolol benzoate?
You can request a quote for Alprenolol benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alprenolol benzoate?
Yes, KEHONG BIO provides custom synthesis services for Alprenolol benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.