1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene
TL;DR: 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene (CAS 17811-46-0) is a chemical compound with molecular formula C13H6F3N3O7 and molecular weight 373.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene
Also Known As: 1,3-dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene
| Molecular Formula | C13H6F3N3O7 |
|---|---|
| Molecular Weight | 373.02 g/mol |
| LogP | 4.2223 |
| Topological Polar Surface Area | 138.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.01578 |
| Heavy Atoms | 26 |
| Complexity | 861.8412 |
Chemical Identifiers
| CAS Number | 17811-46-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene (CAS 17811-46-0), with molecular formula C13H6F3N3O7 and molecular weight 373.02 g/mol. IUPAC: 1,3-dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene.
Chemical Property Profile of 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene
Property Insights of 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene
The XLogP value of 4.2223 indicates that 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene. Following Lipinski's Rule of Five, 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene 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 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene?
The CAS number of 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene is 17811-46-0.
What is the molecular formula of 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene?
The molecular formula of 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene is C13H6F3N3O7.
What is the molecular weight of 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene?
The molecular weight of 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene is 373.02 g/mol.
Where can I buy 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene?
You can request a quote for 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.