![alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid structure](/static/products/6962/6962-95-4.webp)
alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid
TL;DR: alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid (CAS 6962-95-4) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-2-[2-(propanoylamino)phenyl]acetic acid
Also Known As: Oxo[2-(propionylamino)phenyl]acetic acid, 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid, 2-Oxo-2-(2-propionamidophenyl)acetic acid, 2-oxo-2-(2-propanamidophenyl)acetic acid, OXO(2-PROPANAMIDOPHENYL)ACETIC ACID
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 6962-95-4 |
|---|---|
| SMILES | CCC(=O)NC1=CC=CC=C1C(=O)C(=O)O |
| InChIKey | XDZDGUFFZKSXRH-UHFFFAOYSA-N |
Product Overview
alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid (CAS 6962-95-4), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 2-oxo-2-[2-(propanoylamino)phenyl]acetic acid.
Chemical Property Profile of alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid
Property Insights of alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid. Following Lipinski's Rule of Five, alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid has 2 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 alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid?
The CAS number of alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid is 6962-95-4.
What is the molecular formula of alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid?
The molecular formula of alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid is C11H11NO4.
What is the molecular weight of alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid?
The molecular weight of alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid is 221.07 g/mol.
Where can I buy alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid?
You can request a quote for alpha-Oxo-2-[(1-oxopropyl)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-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Oxo-2-[(1-oxopropyl)amino]benzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.