Methyl 2-(2,4-dinitrophenyl)acetate
TL;DR: Methyl 2-(2,4-dinitrophenyl)acetate (CAS 5908-27-0) is a chemical compound with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dinitrophenyl)acetate
Also Known As: methyl 2-(2,4-dinitrophenyl)acetate, Methyl 2,4-dinitrophenylacetate, methyl (2,4-dinitrophenyl)acetate, Methyl 2,4-dinitrobenzeneacetate, BEN173
| Molecular Formula | C9H8N2O6 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.03824 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 5908-27-0 |
|---|---|
| SMILES | COC(=O)CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HTANURMJHZJJSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(2,4-dinitrophenyl)acetate (CAS 5908-27-0), with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol. IUPAC: methyl 2-(2,4-dinitrophenyl)acetate.
Chemical Property Profile of Methyl 2-(2,4-dinitrophenyl)acetate
Property Insights of Methyl 2-(2,4-dinitrophenyl)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2,4-dinitrophenyl)acetate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2,4-dinitrophenyl)acetate. Following Lipinski's Rule of Five, Methyl 2-(2,4-dinitrophenyl)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 Methyl 2-(2,4-dinitrophenyl)acetate?
The CAS number of Methyl 2-(2,4-dinitrophenyl)acetate is 5908-27-0.
What is the molecular formula of Methyl 2-(2,4-dinitrophenyl)acetate?
The molecular formula of Methyl 2-(2,4-dinitrophenyl)acetate is C9H8N2O6.
What is the molecular weight of Methyl 2-(2,4-dinitrophenyl)acetate?
The molecular weight of Methyl 2-(2,4-dinitrophenyl)acetate is 240.04 g/mol.
Where can I buy Methyl 2-(2,4-dinitrophenyl)acetate?
You can request a quote for Methyl 2-(2,4-dinitrophenyl)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-(2,4-dinitrophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,4-dinitrophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.