1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene
TL;DR: 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene (CAS 34859-78-4) is a chemical compound with molecular formula C13H8F3NO3 and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene
Also Known As: 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene, 4'-Nitro-4-trifluoromethyldiphenylether, 4251AB, 1-Nitro-4-[4-(trifluoromethyl)phenoxy]benzene, 1-(4-Nitrophenoxy)-4-(trifluoromethyl)benzene
| Molecular Formula | C13H8F3NO3 |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.04562 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 34859-78-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | PYMCMCZNGHSQLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene (CAS 34859-78-4), with molecular formula C13H8F3NO3 and molecular weight 283.05 g/mol. IUPAC: 1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene
Property Insights of 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene
The XLogP value of 4.1 indicates that 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene 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 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene?
The CAS number of 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene is 34859-78-4.
What is the molecular formula of 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene?
The molecular formula of 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene is C13H8F3NO3.
What is the molecular weight of 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene?
The molecular weight of 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene is 283.05 g/mol.
Where can I buy 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene?
You can request a quote for 1-Nitro-4-(4-(trifluoromethyl)phenoxy)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-(trifluoromethyl)phenoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.