Diacetolol hydrochloride
TL;DR: Diacetolol hydrochloride (CAS 69796-04-9) is a chemical compound with molecular formula C16H25ClN2O4 and molecular weight 344.15 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;hydrochloride
Also Known As: DIACETOLOL HYDROCHLORIDE, Diacetolol HCl, Acebutolol EP Impurity B, Diacetolol hydrochloride [USAN], M&B 16942A
| Molecular Formula | C16H25ClN2O4 |
|---|---|
| Molecular Weight | 344.15 g/mol |
| LogP | 2.01 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.1503 |
| Heavy Atoms | 23 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 69796-04-9 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O.Cl |
| InChIKey | RRLYGXRMVLYFNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diacetolol hydrochloride (CAS 69796-04-9), with molecular formula C16H25ClN2O4 and molecular weight 344.15 g/mol. IUPAC: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;hydrochloride.
Chemical Property Profile of Diacetolol hydrochloride
Property Insights of Diacetolol hydrochloride
The XLogP value of 2.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diacetolol hydrochloride. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diacetolol hydrochloride. Following Lipinski's Rule of Five, Diacetolol hydrochloride has 4 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 hydrochloride?
The CAS number of Diacetolol hydrochloride is 69796-04-9.
What is the molecular formula of Diacetolol hydrochloride?
The molecular formula of Diacetolol hydrochloride is C16H25ClN2O4.
What is the molecular weight of Diacetolol hydrochloride?
The molecular weight of Diacetolol hydrochloride is 344.15 g/mol.
Where can I buy Diacetolol hydrochloride?
You can request a quote for Diacetolol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetolol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Diacetolol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.