2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate
TL;DR: 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate (CAS 479592-51-3) 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-methylphenyl)-2-oxoethyl] 2-acetamidoacetate
Also Known As: 2-oxo-2-(p-tolyl)ethyl 2-acetamidoacetate, 2-(4-methylphenyl)-2-oxoethyl 2-(acetylamino)acetate, 2-(4-methylphenyl)-2-oxoethyl N-acetylglycinate, [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidoacetate
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 0.85702 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 450.56396 |
Chemical Identifiers
| CAS Number | 479592-51-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C |
Product Overview
2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate (CAS 479592-51-3), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidoacetate.
Chemical Property Profile of 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate
Property Insights of 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate
The XLogP value of 0.85702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate 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 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate?
The CAS number of 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate is 479592-51-3.
What is the molecular formula of 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate?
The molecular formula of 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate is C13H15NO4.
What is the molecular weight of 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate?
The molecular weight of 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate is 249.10 g/mol.
Where can I buy 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate?
You can request a quote for 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2-oxoethyl 2-(acetylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.