Acebutolol, (S)-
TL;DR: Acebutolol, (S)- (CAS 68107-82-4) is a chemical compound with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-acetyl-4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
Also Known As: S-Acebutolol, Acebutolol, (S)-, acebutolol, -Acebutolol, (S)-acebutolol
| Molecular Formula | C18H28N2O4 |
|---|---|
| Molecular Weight | 336.20 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 336.2049 |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 68107-82-4 |
|---|---|
| SMILES | CCCC(=O)NC1=CC(=C(C=C1)OC[C@H](CNC(C)C)O)C(=O)C |
| InChIKey | GOEMGAFJFRBGGG-HNNXBMFYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acebutolol, (S)- (CAS 68107-82-4), with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol. IUPAC: N-[3-acetyl-4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide.
Chemical Property Profile of Acebutolol, (S)-
Property Insights of Acebutolol, (S)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acebutolol, (S)-. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acebutolol, (S)-. Following Lipinski's Rule of Five, Acebutolol, (S)- 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 Acebutolol, (S)-?
The CAS number of Acebutolol, (S)- is 68107-82-4.
What is the molecular formula of Acebutolol, (S)-?
The molecular formula of Acebutolol, (S)- is C18H28N2O4.
What is the molecular weight of Acebutolol, (S)-?
The molecular weight of Acebutolol, (S)- is 336.20 g/mol.
Where can I buy Acebutolol, (S)-?
You can request a quote for Acebutolol, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acebutolol, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Acebutolol, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.