Methyl (4-nitrophenoxy)acetate
TL;DR: Methyl (4-nitrophenoxy)acetate (CAS 19786-48-2) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-nitrophenoxy)acetate
Also Known As: methyl 2-(4-nitrophenoxy)acetate, methyl (4-nitrophenoxy)acetate, Methyl 4-nitrophenoxyacetate, methyl 4-nitro-phenoxyacetate, Methyl(4-Nitro phenoxy)acetate
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 19786-48-2 |
|---|---|
| SMILES | COC(=O)COC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | ZZVXTAUUUUCLAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (4-nitrophenoxy)acetate (CAS 19786-48-2), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: methyl 2-(4-nitrophenoxy)acetate.
Chemical Property Profile of Methyl (4-nitrophenoxy)acetate
Property Insights of Methyl (4-nitrophenoxy)acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-nitrophenoxy)acetate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-nitrophenoxy)acetate. Following Lipinski's Rule of Five, 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
Frequently Asked Questions
What is the CAS number of Methyl (4-nitrophenoxy)acetate?
The CAS number of Methyl (4-nitrophenoxy)acetate is 19786-48-2.
What is the molecular formula of Methyl (4-nitrophenoxy)acetate?
The molecular formula of Methyl (4-nitrophenoxy)acetate is C9H9NO5.
What is the molecular weight of Methyl (4-nitrophenoxy)acetate?
The molecular weight of Methyl (4-nitrophenoxy)acetate is 211.05 g/mol.
Where can I buy Methyl (4-nitrophenoxy)acetate?
You can request a quote for Methyl (4-nitrophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-nitrophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-nitrophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.