![Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate structure](/static/products/1274/1274891-80-3.webp)
Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate
TL;DR: Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate (CAS 1274891-80-3) is a chemical compound with molecular formula C15H9F3N2O7 and molecular weight 386.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzoate
Also Known As: Bionet1_003361, methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzoate, Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate, Methyl 4-(2,6-dinitrophenoxy)benzoate, 10N-024
| Molecular Formula | C15H9F3N2O7 |
|---|---|
| Molecular Weight | 386.04 g/mol |
| LogP | 4.1007 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.0362 |
| Heavy Atoms | 27 |
| Complexity | 875.61194 |
Chemical Identifiers
| CAS Number | 1274891-80-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate (CAS 1274891-80-3), with molecular formula C15H9F3N2O7 and molecular weight 386.04 g/mol. IUPAC: methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzoate.
Chemical Property Profile of Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate
Property Insights of Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate
The XLogP value of 4.1007 indicates that Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate 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 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate?
The CAS number of Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate is 1274891-80-3.
What is the molecular formula of Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate?
The molecular formula of Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate is C15H9F3N2O7.
What is the molecular weight of Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate?
The molecular weight of Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate is 386.04 g/mol.
Where can I buy Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate?
You can request a quote for Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.