2-Methylacetoacetamide
TL;DR: 2-Methylacetoacetamide (CAS 4433-76-5) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-oxobutanamide
Also Known As: 2-methylacetoacetamide, 2-methyl-3-oxobutanamide, 2-methyl-3-oxo-butanamide, Butanamide,2-methyl-3-oxo-, Butanamide, 2-methyl-3-oxo-
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | -0.3032 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 105.59708 |
Chemical Identifiers
| CAS Number | 4433-76-5 |
|---|---|
| SMILES | CC(C(=O)C)C(=O)N |
Product Overview
2-Methylacetoacetamide (CAS 4433-76-5), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 2-methyl-3-oxobutanamide.
Chemical Property Profile of 2-Methylacetoacetamide
Property Insights of 2-Methylacetoacetamide
The XLogP value of -0.3032 indicates that 2-Methylacetoacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylacetoacetamide. Following Lipinski's Rule of Five, 2-Methylacetoacetamide 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 2-Methylacetoacetamide?
The CAS number of 2-Methylacetoacetamide is 4433-76-5.
What is the molecular formula of 2-Methylacetoacetamide?
The molecular formula of 2-Methylacetoacetamide is C5H9NO2.
What is the molecular weight of 2-Methylacetoacetamide?
The molecular weight of 2-Methylacetoacetamide is 115.06 g/mol.
Where can I buy 2-Methylacetoacetamide?
You can request a quote for 2-Methylacetoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylacetoacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylacetoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.