2'-Methylacetoacetanilide
TL;DR: 2'-Methylacetoacetanilide (CAS 93-68-5) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-methylphenyl)-3-oxobutanamide
Also Known As: 2'-Methylacetoacetanilide, O-Acetoacetotoluidide, N-(2-Methylphenyl)-3-oxobutanamide, Acetoacet-o-toluidide, N-Acetoacetyl-o-toluidine
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.09464 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.09464 Da |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| SMILES | CC1=CC=CC=C1NC(=O)CC(=O)C |
| InChIKey | TVZIWRMELPWPPR-UHFFFAOYSA-N |
Product Description
Applications: 2'-Methylacetoacetanilide is used in dye and pigment synthesis and coloration chemistry, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2'-Methylacetoacetanilide (CAS 93-68-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2'-Methylacetoacetanilide (CAS 93-68-5) is a dye and pigment intermediate with the molecular formula C11H13NO2 and a molecular weight of 191.09 g/mol. It is also known as 2'-Methylacetoacetanilide and O-Acetoacetotoluidide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2'-Methylacetoacetanilide
Property Insights of 2'-Methylacetoacetanilide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Methylacetoacetanilide. With a topological polar surface area (TPSA) of 46.2 Ų, 2'-Methylacetoacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-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
What is the CAS number of 2'-Methylacetoacetanilide?
The CAS number of 2'-Methylacetoacetanilide is 93-68-5.
What is the molecular formula of 2'-Methylacetoacetanilide?
The molecular formula of 2'-Methylacetoacetanilide is C11H13NO2.
What is the molecular weight of 2'-Methylacetoacetanilide?
The molecular weight of 2'-Methylacetoacetanilide is 191.09464 g/mol.
What are the applications of 2'-Methylacetoacetanilide?
2'-Methylacetoacetanilide is used in dye and pigment synthesis and coloration chemistry, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2'-Methylacetoacetanilide (CAS...
Where can I buy 2'-Methylacetoacetanilide?
You can request a quote for 2'-Methylacetoacetanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2'-Methylacetoacetanilide?
Yes, CoreyChem provides custom synthesis services for 2'-Methylacetoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.