Ethyl 2-(3-methyl-4-nitrophenoxy)acetate
TL;DR: Ethyl 2-(3-methyl-4-nitrophenoxy)acetate (CAS 158425-72-0) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(3-methyl-4-nitrophenoxy)acetate
Also Known As: ethyl 2-(3-methyl-4-nitrophenoxy)acetate, ethyl (3-methyl-4-nitrophenoxy)acetate, ethyl 4-nitro-3-methylphenoxyacetate, Ethyl 2-(3-methyl-4-nitro-phenoxy)acetate, Acetic acid, (3-methyl-4-nitrophenoxy)-, ethyl ester
Technical Specifications
| Molecular Formula | C11H13NO5 |
| Molecular Weight | 239.07938 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.07938 Da |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
| SMILES | CCOC(=O)COC1=CC(=C(C=C1)[N+](=O)[O-])C |
| InChIKey | XDAQOXGWQBZSPZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(3-methyl-4-nitrophenoxy)acetate
Property Insights of Ethyl 2-(3-methyl-4-nitrophenoxy)acetate
The XLogP value of 3.1 indicates that Ethyl 2-(3-methyl-4-nitrophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-methyl-4-nitrophenoxy)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-methyl-4-nitrophenoxy)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-(3-methyl-4-nitrophenoxy)acetate?
The CAS number of Ethyl 2-(3-methyl-4-nitrophenoxy)acetate is 158425-72-0.
What is the molecular formula of Ethyl 2-(3-methyl-4-nitrophenoxy)acetate?
The molecular formula of Ethyl 2-(3-methyl-4-nitrophenoxy)acetate is C11H13NO5.
What is the molecular weight of Ethyl 2-(3-methyl-4-nitrophenoxy)acetate?
The molecular weight of Ethyl 2-(3-methyl-4-nitrophenoxy)acetate is 239.07938 g/mol.
Where can I buy Ethyl 2-(3-methyl-4-nitrophenoxy)acetate?
You can request a quote for Ethyl 2-(3-methyl-4-nitrophenoxy)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(3-methyl-4-nitrophenoxy)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(3-methyl-4-nitrophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.