4-Nitrophenyl trifluoroacetate
TL;DR: 4-Nitrophenyl trifluoroacetate (CAS 658-78-6) is a chemical compound with molecular formula C8H4F3NO4 and molecular weight 235.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2,2,2-trifluoroacetate
Also Known As: 4-Nitrophenyl trifluoroacetate, 4-nitrophenyl 2,2,2-trifluoroacetate, null, p-Nitrophenyl trifluoroacetate, Sakakibara's Reagent
| Molecular Formula | C8H4F3NO4 |
|---|---|
| Molecular Weight | 235.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.00925 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 658-78-6 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(F)(F)F |
| InChIKey | JFOIBTLTZWOAIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl trifluoroacetate (CAS 658-78-6), with molecular formula C8H4F3NO4 and molecular weight 235.01 g/mol. IUPAC: (4-nitrophenyl) 2,2,2-trifluoroacetate.
Chemical Property Profile of 4-Nitrophenyl trifluoroacetate
Property Insights of 4-Nitrophenyl trifluoroacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl trifluoroacetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl trifluoroacetate. Following Lipinski's Rule of Five, 4-Nitrophenyl trifluoroacetate 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 4-Nitrophenyl trifluoroacetate?
The CAS number of 4-Nitrophenyl trifluoroacetate is 658-78-6.
What is the molecular formula of 4-Nitrophenyl trifluoroacetate?
The molecular formula of 4-Nitrophenyl trifluoroacetate is C8H4F3NO4.
What is the molecular weight of 4-Nitrophenyl trifluoroacetate?
The molecular weight of 4-Nitrophenyl trifluoroacetate is 235.01 g/mol.
Where can I buy 4-Nitrophenyl trifluoroacetate?
You can request a quote for 4-Nitrophenyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.