Deacyl acebutolol
TL;DR: Deacyl acebutolol (CAS 1329613-82-2) is a chemical compound with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-amino-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
Also Known As: Deacyl acebutolol, Acetolol, rac N-Desbutyroyl Acebutolol, N-Desbutyroyl acebutolol, M and B 17127
| Molecular Formula | C14H22N2O3 |
|---|---|
| Molecular Weight | 266.16 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.16306 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 1329613-82-2 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(C=C(C=C1)N)C(=O)C)O |
| InChIKey | DBUJVRULIBQHKT-UHFFFAOYSA-N |
Product Overview
Deacyl acebutolol (CAS 1329613-82-2), with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol. IUPAC: 1-[5-amino-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone.
Chemical Property Profile of Deacyl acebutolol
Property Insights of Deacyl acebutolol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deacyl acebutolol. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Deacyl acebutolol. Following Lipinski's Rule of Five, Deacyl 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
Frequently Asked Questions
What is the CAS number of Deacyl acebutolol?
The CAS number of Deacyl acebutolol is 1329613-82-2.
What is the molecular formula of Deacyl acebutolol?
The molecular formula of Deacyl acebutolol is C14H22N2O3.
What is the molecular weight of Deacyl acebutolol?
The molecular weight of Deacyl acebutolol is 266.16 g/mol.
Where can I buy Deacyl acebutolol?
You can request a quote for Deacyl acebutolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacyl acebutolol?
Yes, KEHONG BIO provides custom synthesis services for Deacyl acebutolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.