1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene
TL;DR: 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene (CAS 439095-66-6) is a chemical compound with molecular formula C13H8ClF2NO3 and molecular weight 299.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-5-fluoro-2-[(4-fluorophenyl)methoxy]-4-nitrobenzene
Also Known As: Not Available, 1-chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene, 1-Chloro-5-fluoro-2-[(4-fluorobenzyl)oxy]-4-nitrobenzene, 1-Chloro-5-fluoro-2-((4-fluorobenzyl)oxy)-4-nitrobenzene, chlorofluorofluorobenzyloxynitrobenzene
| Molecular Formula | C13H8ClF2NO3 |
|---|---|
| Molecular Weight | 299.02 g/mol |
| LogP | 4.1054 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.01608 |
| Heavy Atoms | 20 |
| Complexity | 646.8097 |
Chemical Identifiers
| CAS Number | 439095-66-6 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=C(C=C(C(=C2)[N+](=O)[O-])F)Cl)F |
Product Overview
1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene (CAS 439095-66-6), with molecular formula C13H8ClF2NO3 and molecular weight 299.02 g/mol. IUPAC: 1-chloro-5-fluoro-2-[(4-fluorophenyl)methoxy]-4-nitrobenzene.
Chemical Property Profile of 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene
Property Insights of 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene
The XLogP value of 4.1054 indicates that 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene has 0 hydrogen bond donor(s) and 3 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-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene?
The CAS number of 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene is 439095-66-6.
What is the molecular formula of 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene?
The molecular formula of 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene is C13H8ClF2NO3.
What is the molecular weight of 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene?
The molecular weight of 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene is 299.02 g/mol.
Where can I buy 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene?
You can request a quote for 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-5-fluoro-2-(4-fluorobenzyloxy)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.