4'-Methoxyacetoacetanilide
TL;DR: 4'-Methoxyacetoacetanilide (CAS 5437-98-9) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-3-oxobutanamide
Also Known As: N-(4-Methoxyphenyl)-3-oxobutanamide, 4'-Methoxyacetoacetanilide, p-ACETOACETANISIDIDE, p-Acetoacetanisidine, Acetoacet-p-anisidide
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 5437-98-9 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=C(C=C1)OC |
| InChIKey | SWAJJKROCOJICG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Methoxyacetoacetanilide (CAS 5437-98-9), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: N-(4-methoxyphenyl)-3-oxobutanamide.
Chemical Property Profile of 4'-Methoxyacetoacetanilide
Property Insights of 4'-Methoxyacetoacetanilide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methoxyacetoacetanilide. With a topological polar surface area (TPSA) of 55.4 Ų, 4'-Methoxyacetoacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Methoxyacetoacetanilide has 1 hydrogen bond donor(s) and 3 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 4'-Methoxyacetoacetanilide?
The CAS number of 4'-Methoxyacetoacetanilide is 5437-98-9.
What is the molecular formula of 4'-Methoxyacetoacetanilide?
The molecular formula of 4'-Methoxyacetoacetanilide is C11H13NO3.
What is the molecular weight of 4'-Methoxyacetoacetanilide?
The molecular weight of 4'-Methoxyacetoacetanilide is 207.09 g/mol.
Where can I buy 4'-Methoxyacetoacetanilide?
You can request a quote for 4'-Methoxyacetoacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methoxyacetoacetanilide?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methoxyacetoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.