Acebutolol
TL;DR: Acebutolol (CAS 37517-30-9) is a chemical compound with molecular formula C18H28N2O4 and molecular weight 336.2049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
Also Known As: acebutolol, Acetobutolol, dl-Acebutolol, Acebutololo, Neptal
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H28N2O4 |
| Molecular Weight | 336.2049 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 336.2049 Da |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
| Melting Point | 136-138 |
| Solubility | 259 |
| SMILES | CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C |
| InChIKey | GOEMGAFJFRBGGG-UHFFFAOYSA-N |
Product Description
Applications: Acebutolol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Acebutolol (CAS 37517-30-9) is a pharmaceutical intermediate with the molecular formula C18H28N2O4 and a molecular weight of 336.2 g/mol. Key physical properties include a solubility: 259. Synonyms include acebutolol and Acetobutolol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Acebutolol
Property Insights of Acebutolol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acebutolol. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acebutolol. Following Lipinski's Rule of Five, Acebutolol has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acebutolol?
The CAS number of Acebutolol is 37517-30-9.
What is the molecular formula of Acebutolol?
The molecular formula of Acebutolol is C18H28N2O4.
What is the molecular weight of Acebutolol?
The molecular weight of Acebutolol is 336.2049 g/mol.
What are the applications of Acebutolol?
Acebutolol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Acebutolol?
You can request a quote for Acebutolol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acebutolol?
Yes, CoreyChem provides custom synthesis services for Acebutolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.