![1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene structure](/static/products/6723/67238-30-6.webp)
1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene
TL;DR: 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene (CAS 67238-30-6) is a chemical compound with molecular formula C18H10F6N2O6 and molecular weight 464.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene
Also Known As: 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene, 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy, 1,1'-[But-2-yne-1,4-diylbis(oxy)]bis[4-nitro-3-(trifluoromethyl)benzene]
| Molecular Formula | C18H10F6N2O6 |
|---|---|
| Molecular Weight | 464.04 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.0443 |
| Heavy Atoms | 32 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 67238-30-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1OCC#CCOC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | STMIFLGHVXOMJI-UHFFFAOYSA-N |
Product Overview
1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene (CAS 67238-30-6), with molecular formula C18H10F6N2O6 and molecular weight 464.04 g/mol. IUPAC: 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene.
Chemical Property Profile of 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene
Property Insights of 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene
The XLogP value of 5.0 indicates that 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene. Following Lipinski's Rule of Five, 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene?
The CAS number of 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene is 67238-30-6.
What is the molecular formula of 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene?
The molecular formula of 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene is C18H10F6N2O6.
What is the molecular weight of 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene?
The molecular weight of 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene is 464.04 g/mol.
Where can I buy 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene?
You can request a quote for 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(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-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-nitro-4-[4-[4-nitro-3-(trifluoromethyl)phenoxy]but-2-ynoxy]-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.