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Methyl alpha-[(1-oxopropyl)amino]benzeneacetate
TL;DR: Methyl alpha-[(1-oxopropyl)amino]benzeneacetate (CAS 100508-79-0) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenyl-2-(propanoylamino)acetate
Also Known As: Methyl phenyl(propanamido)acetate, methyl phenyl(propanoylamino)acetate, Methyl phenyl(propionylamino)acetate, methyl 2-phenyl-2-propionamidoacetate, Methyl phenyl(propionylamino)acetate #
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 100508-79-0 |
|---|---|
| SMILES | CCC(=O)NC(C1=CC=CC=C1)C(=O)OC |
| InChIKey | MAIMZQHDTYYKFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl alpha-[(1-oxopropyl)amino]benzeneacetate (CAS 100508-79-0), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: methyl 2-phenyl-2-(propanoylamino)acetate.
Chemical Property Profile of Methyl alpha-[(1-oxopropyl)amino]benzeneacetate
Property Insights of Methyl alpha-[(1-oxopropyl)amino]benzeneacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl alpha-[(1-oxopropyl)amino]benzeneacetate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl alpha-[(1-oxopropyl)amino]benzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl alpha-[(1-oxopropyl)amino]benzeneacetate 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 Methyl alpha-[(1-oxopropyl)amino]benzeneacetate?
The CAS number of Methyl alpha-[(1-oxopropyl)amino]benzeneacetate is 100508-79-0.
What is the molecular formula of Methyl alpha-[(1-oxopropyl)amino]benzeneacetate?
The molecular formula of Methyl alpha-[(1-oxopropyl)amino]benzeneacetate is C12H15NO3.
What is the molecular weight of Methyl alpha-[(1-oxopropyl)amino]benzeneacetate?
The molecular weight of Methyl alpha-[(1-oxopropyl)amino]benzeneacetate is 221.11 g/mol.
Where can I buy Methyl alpha-[(1-oxopropyl)amino]benzeneacetate?
You can request a quote for Methyl alpha-[(1-oxopropyl)amino]benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl alpha-[(1-oxopropyl)amino]benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl alpha-[(1-oxopropyl)amino]benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.