Diacetolol
TL;DR: Diacetolol (CAS 22568-64-5) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Also Known As: Diacetolol, Acetylacebutolol, rac Diacetolol, Diacetololum, Acetyl acebutolol
| Molecular Formula | C16H24N2O4 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 308.1736 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 22568-64-5 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O |
| InChIKey | AWOGXJOBNAWQSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diacetolol (CAS 22568-64-5), with molecular formula C16H24N2O4 and molecular weight 308.17 g/mol. IUPAC: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide.
Chemical Property Profile of Diacetolol
Property Insights of Diacetolol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diacetolol. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diacetolol. Following Lipinski's Rule of Five, Diacetolol 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
Frequently Asked Questions
What is the CAS number of Diacetolol?
The CAS number of Diacetolol is 22568-64-5.
What is the molecular formula of Diacetolol?
The molecular formula of Diacetolol is C16H24N2O4.
What is the molecular weight of Diacetolol?
The molecular weight of Diacetolol is 308.17 g/mol.
Where can I buy Diacetolol?
You can request a quote for Diacetolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetolol?
Yes, KEHONG BIO provides custom synthesis services for Diacetolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.