![[3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate structure](/static/products/7402/7402-84-8.webp)
[3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate
TL;DR: [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate (CAS 7402-84-8) is a chemical compound with molecular formula C15H9F3N2O6 and molecular weight 370.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate
Also Known As: [3-(trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate|BENZENEMETHANOL,3-(TRIFLUOROMETHYL)-, 1-(3,5-DINITROBENZOATE)
| Molecular Formula | C15H9F3N2O6 |
|---|---|
| Molecular Weight | 370.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.04126 |
| Heavy Atoms | 26 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 7402-84-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UJSJZYMMPCEZTO-UHFFFAOYSA-N |
Product Overview
[3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate (CAS 7402-84-8), with molecular formula C15H9F3N2O6 and molecular weight 370.04 g/mol. IUPAC: [3-(trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate.
Chemical Property Profile of [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate
Property Insights of [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate
The XLogP value of 3.8 indicates that [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 9 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 [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate?
The CAS number of [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate is 7402-84-8.
What is the molecular formula of [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate?
The molecular formula of [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate is C15H9F3N2O6.
What is the molecular weight of [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate?
The molecular weight of [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate is 370.04 g/mol.
Where can I buy [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate?
You can request a quote for [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [3-(Trifluoromethyl)phenyl]methyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.