N-Methylacetoacetamide
TL;DR: N-Methylacetoacetamide (CAS 20306-75-6) 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.
N-methyl-3-oxobutanamide
Also Known As: N-Methylacetoacetamide, N-methyl-3-oxobutanamide, Butanamide, N-methyl-3-oxo-, N-Methyl-3-oxobutyramide, Acetoacet-monomethylamide
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 20306-75-6 |
|---|---|
| SMILES | CC(=O)CC(=O)NC |
| InChIKey | ATWLCPHWYPSRBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methylacetoacetamide (CAS 20306-75-6), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: N-methyl-3-oxobutanamide.
Chemical Property Profile of N-Methylacetoacetamide
Property Insights of N-Methylacetoacetamide
The XLogP value of -0.6 indicates that N-Methylacetoacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.2 Ų, N-Methylacetoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-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 N-Methylacetoacetamide?
The CAS number of N-Methylacetoacetamide is 20306-75-6.
What is the molecular formula of N-Methylacetoacetamide?
The molecular formula of N-Methylacetoacetamide is C5H9NO2.
What is the molecular weight of N-Methylacetoacetamide?
The molecular weight of N-Methylacetoacetamide is 115.06 g/mol.
Where can I buy N-Methylacetoacetamide?
You can request a quote for N-Methylacetoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylacetoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-Methylacetoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.