Methyl (2,4-dinitrophenoxy)acetate
TL;DR: Methyl (2,4-dinitrophenoxy)acetate (CAS 55796-11-7) is a chemical compound with molecular formula C9H8N2O7 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dinitrophenoxy)acetate
Also Known As: methyl (2,4-dinitrophenoxy)acetate, Methyl 2-(2,4-dinitrophenoxy)acetate, methyl(2,4-dinitrophenoxy)acetate, acetic acid, (2,4-dinitrophenoxy)-, methyl ester
| Molecular Formula | C9H8N2O7 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 1.0548 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.03314 |
| Heavy Atoms | 18 |
| Complexity | 499.68958 |
Chemical Identifiers
| CAS Number | 55796-11-7 |
|---|---|
| SMILES | COC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Methyl (2,4-dinitrophenoxy)acetate (CAS 55796-11-7), with molecular formula C9H8N2O7 and molecular weight 256.03 g/mol. IUPAC: methyl 2-(2,4-dinitrophenoxy)acetate.
Chemical Property Profile of Methyl (2,4-dinitrophenoxy)acetate
Property Insights of Methyl (2,4-dinitrophenoxy)acetate
The XLogP value of 1.0548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2,4-dinitrophenoxy)acetate. The TPSA of 121.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2,4-dinitrophenoxy)acetate. Following Lipinski's Rule of Five, Methyl (2,4-dinitrophenoxy)acetate has 0 hydrogen bond donor(s) and 7 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 (2,4-dinitrophenoxy)acetate?
The CAS number of Methyl (2,4-dinitrophenoxy)acetate is 55796-11-7.
What is the molecular formula of Methyl (2,4-dinitrophenoxy)acetate?
The molecular formula of Methyl (2,4-dinitrophenoxy)acetate is C9H8N2O7.
What is the molecular weight of Methyl (2,4-dinitrophenoxy)acetate?
The molecular weight of Methyl (2,4-dinitrophenoxy)acetate is 256.03 g/mol.
Where can I buy Methyl (2,4-dinitrophenoxy)acetate?
You can request a quote for Methyl (2,4-dinitrophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2,4-dinitrophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2,4-dinitrophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.