Methyl 2-(4-nitrophenoxy)benzoate
TL;DR: Methyl 2-(4-nitrophenoxy)benzoate (CAS 1228070-78-7) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4-nitrophenoxy)benzoate
Also Known As: methyl 2-(4-nitrophenoxy)benzoate, methyl 2-(4-nitrophenoxy)benzenecarboxylate, methyl2-(4-nitrophenoxy)benzoate, methylnitrophenoxybenzenecarboxylate, methyl 2-(4'-nitrophenoxy)benzoate
Technical Specifications
| Molecular Formula | C14H11NO5 |
| Molecular Weight | 273.06372 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.06372 Da |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| SMILES | COC(=O)C1=CC=CC=C1OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | PVVIPSBIFWHOIX-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(4-nitrophenoxy)benzoate
Property Insights of Methyl 2-(4-nitrophenoxy)benzoate
The XLogP value of 3.4 indicates that Methyl 2-(4-nitrophenoxy)benzoate 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 Methyl 2-(4-nitrophenoxy)benzoate. Following Lipinski's Rule of Five, Methyl 2-(4-nitrophenoxy)benzoate 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 Methyl 2-(4-nitrophenoxy)benzoate?
The CAS number of Methyl 2-(4-nitrophenoxy)benzoate is 1228070-78-7.
What is the molecular formula of Methyl 2-(4-nitrophenoxy)benzoate?
The molecular formula of Methyl 2-(4-nitrophenoxy)benzoate is C14H11NO5.
What is the molecular weight of Methyl 2-(4-nitrophenoxy)benzoate?
The molecular weight of Methyl 2-(4-nitrophenoxy)benzoate is 273.06372 g/mol.
Where can I buy Methyl 2-(4-nitrophenoxy)benzoate?
You can request a quote for Methyl 2-(4-nitrophenoxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(4-nitrophenoxy)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(4-nitrophenoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.