Acetoacetamide
TL;DR: Acetoacetamide (CAS 5977-14-0) is a chemical compound with molecular formula C4H7NO2 and molecular weight 101.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobutanamide
Also Known As: Acetoacetamide, 3-Oxobutanamide, Acetylacetamide, Butanamide, 3-oxo-, 3-oxobutyramide
| Molecular Formula | C4H7NO2 |
|---|---|
| Molecular Weight | 101.05 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.047676 |
| Heavy Atoms | 7 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 5977-14-0 |
|---|---|
| SMILES | CC(=O)CC(=O)N |
| InChIKey | GCPWJFKTWGFEHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetoacetamide (CAS 5977-14-0), with molecular formula C4H7NO2 and molecular weight 101.05 g/mol. IUPAC: 3-oxobutanamide.
Chemical Property Profile of Acetoacetamide
Property Insights of Acetoacetamide
The XLogP value of -1.0 indicates that Acetoacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetoacetamide. Following Lipinski's Rule of Five, Acetoacetamide has 1 hydrogen bond donor(s) and 2 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 Acetoacetamide?
The CAS number of Acetoacetamide is 5977-14-0.
What is the molecular formula of Acetoacetamide?
The molecular formula of Acetoacetamide is C4H7NO2.
What is the molecular weight of Acetoacetamide?
The molecular weight of Acetoacetamide is 101.05 g/mol.
Where can I buy Acetoacetamide?
You can request a quote for Acetoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoacetamide?
Yes, KEHONG BIO provides custom synthesis services for Acetoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.