![Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate structure](/static/products/5336/533-63-1.webp)
Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate
TL;DR: Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate (CAS 533-63-1) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate
Also Known As: methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate, BIM-0017624.P001, N-[3-(Methoxycarbonyl)phenyl]-3-oxo-3-phenylpropanimidic acid
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 533-63-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=O)CC(=O)C2=CC=CC=C2 |
| InChIKey | OLQYFAKEWAGBQD-UHFFFAOYSA-N |
Product Overview
Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate (CAS 533-63-1), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate.
Chemical Property Profile of Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate
Property Insights of Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate
The XLogP value of 3.5 indicates that Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate has 1 hydrogen bond donor(s) and 4 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 Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate?
The CAS number of Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate is 533-63-1.
What is the molecular formula of Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate?
The molecular formula of Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate is C17H15NO4.
What is the molecular weight of Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate?
The molecular weight of Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate is 297.10 g/mol.
Where can I buy Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate?
You can request a quote for Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(3-oxo-3-phenylpropanoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.