2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate
TL;DR: 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate (CAS 432498-40-3) is a chemical compound with molecular formula C17H15NO6 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 2-(4-methylphenoxy)acetate
Also Known As: 2-(3-nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate, 2-(3-nitrophenyl)-2-oxoethyl 2-(p-tolyloxy)acetate, [2-(3-nitrophenyl)-2-oxoethyl] 2-(4-methylphenoxy)acetate
| Molecular Formula | C17H15NO6 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 2.70812 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.08994 |
| Heavy Atoms | 24 |
| Complexity | 753.931 |
Chemical Identifiers
| CAS Number | 432498-40-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate (CAS 432498-40-3), with molecular formula C17H15NO6 and molecular weight 329.09 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 2-(4-methylphenoxy)acetate.
Chemical Property Profile of 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate
Property Insights of 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate
The XLogP value of 2.70812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate has 0 hydrogen bond donor(s) and 6 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-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate?
The CAS number of 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate is 432498-40-3.
What is the molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate?
The molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate is C17H15NO6.
What is the molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate?
The molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate is 329.09 g/mol.
Where can I buy 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate?
You can request a quote for 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-2-oxoethyl (4-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.