p-Methylacetoacetanilide
TL;DR: p-Methylacetoacetanilide (CAS 2415-85-2) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-3-oxobutanamide
Also Known As: N-(4-Methylphenyl)-3-oxobutanamide, Acetoacet-p-toluidide, p-Acetoacetotoluidide, p-Methylacetoacetanilide, 4-Methylacetoacetanilide
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 2415-85-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CC(=O)C |
| InChIKey | MJGLMEMIYDUEHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Methylacetoacetanilide (CAS 2415-85-2), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: N-(4-methylphenyl)-3-oxobutanamide.
Chemical Property Profile of p-Methylacetoacetanilide
Property Insights of p-Methylacetoacetanilide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Methylacetoacetanilide. With a topological polar surface area (TPSA) of 46.2 Ų, p-Methylacetoacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Methylacetoacetanilide 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 p-Methylacetoacetanilide?
The CAS number of p-Methylacetoacetanilide is 2415-85-2.
What is the molecular formula of p-Methylacetoacetanilide?
The molecular formula of p-Methylacetoacetanilide is C11H13NO2.
What is the molecular weight of p-Methylacetoacetanilide?
The molecular weight of p-Methylacetoacetanilide is 191.09 g/mol.
Where can I buy p-Methylacetoacetanilide?
You can request a quote for p-Methylacetoacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Methylacetoacetanilide?
Yes, KEHONG BIO provides custom synthesis services for p-Methylacetoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.