2'-Methylacetoacetanilide
TL;DR: 2'-Methylacetoacetanilide (CAS 93-68-5) 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-(2-methylphenyl)-3-oxobutanamide
Also Known As: 2'-Methylacetoacetanilide, O-Acetoacetotoluidide, N-(2-Methylphenyl)-3-oxobutanamide, Acetoacet-o-toluidide, N-Acetoacetyl-o-toluidine
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.3 |
| 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 | 225.0 |
Chemical Identifiers
| CAS Number | 93-68-5 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CC(=O)C |
| InChIKey | TVZIWRMELPWPPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Methylacetoacetanilide (CAS 93-68-5), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: N-(2-methylphenyl)-3-oxobutanamide.
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
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 191.09 g/mol.
Where can I buy 2'-Methylacetoacetanilide?
You can request a quote for 2'-Methylacetoacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Methylacetoacetanilide?
Yes, KEHONG BIO provides custom synthesis services for 2'-Methylacetoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.