![alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid structure](/static/products/7336/733690-75-0.webp)
alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid
TL;DR: alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid (CAS 733690-75-0) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid
Also Known As: alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 733690-75-0 |
|---|---|
| SMILES | CC(=CC(=O)OC)NC(C1=CC=CC=C1)C(=O)O |
| InChIKey | FMONNRDZPPUEOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid (CAS 733690-75-0), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: 2-[(4-methoxy-4-oxobut-2-en-2-yl)amino]-2-phenylacetic acid.
Chemical Property Profile of alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid
Property Insights of alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid. Following Lipinski's Rule of Five, alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid has 2 hydrogen bond donor(s) and 5 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 alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid?
The CAS number of alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid is 733690-75-0.
What is the molecular formula of alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid?
The molecular formula of alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid is C13H15NO4.
What is the molecular weight of alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid?
The molecular weight of alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid is 249.10 g/mol.
Where can I buy alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid?
You can request a quote for alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-[(3-Methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]benzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.