2-Acetyl-4-butyramidophenol
TL;DR: 2-Acetyl-4-butyramidophenol (CAS 4042-61-9) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetyl-4-hydroxyphenyl)butanamide
Also Known As: 2-Acetyl-4-butyramidophenol, N-(3-Acetyl-4-hydroxyphenyl)butanamide, N-(3-Acetyl-4-hydroxyphenyl)butyramide, Acebutolol Impurity C, 3'-Acetyl-4'-hydroxybutyranilide
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 4042-61-9 |
|---|---|
| SMILES | CCCC(=O)NC1=CC(=C(C=C1)O)C(=O)C |
| InChIKey | FGWZEOPEZISTTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-4-butyramidophenol (CAS 4042-61-9), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: N-(3-acetyl-4-hydroxyphenyl)butanamide.
Chemical Property Profile of 2-Acetyl-4-butyramidophenol
Property Insights of 2-Acetyl-4-butyramidophenol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-4-butyramidophenol. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-4-butyramidophenol. Following Lipinski's Rule of Five, 2-Acetyl-4-butyramidophenol has 2 hydrogen bond donor(s) and 3 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 2-Acetyl-4-butyramidophenol?
The CAS number of 2-Acetyl-4-butyramidophenol is 4042-61-9.
What is the molecular formula of 2-Acetyl-4-butyramidophenol?
The molecular formula of 2-Acetyl-4-butyramidophenol is C12H15NO3.
What is the molecular weight of 2-Acetyl-4-butyramidophenol?
The molecular weight of 2-Acetyl-4-butyramidophenol is 221.11 g/mol.
Where can I buy 2-Acetyl-4-butyramidophenol?
You can request a quote for 2-Acetyl-4-butyramidophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-4-butyramidophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-butyramidophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.