2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene
TL;DR: 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene (CAS 5452-63-1) is a chemical compound with molecular formula C15H9ClF3NO5 and molecular weight 375.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl] acetate
Also Known As: 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl acetate, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl acetate, 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene, 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenol, acetate ester, Phenol, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 1-acetate
| Molecular Formula | C15H9ClF3NO5 |
|---|---|
| Molecular Weight | 375.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.01215 |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 5452-63-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | PSWSPFSDVZVVDC-UHFFFAOYSA-N |
Product Overview
2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene (CAS 5452-63-1), with molecular formula C15H9ClF3NO5 and molecular weight 375.01 g/mol. IUPAC: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl] acetate.
Chemical Property Profile of 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene
Property Insights of 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene
The XLogP value of 4.1 indicates that 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene. Following Lipinski's Rule of Five, 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 8 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 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene?
The CAS number of 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene is 5452-63-1.
What is the molecular formula of 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene?
The molecular formula of 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene is C15H9ClF3NO5.
What is the molecular weight of 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene?
The molecular weight of 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene is 375.01 g/mol.
Where can I buy 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene?
You can request a quote for 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(3-acetoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.