4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate
TL;DR: 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate (CAS 331459-80-4) is a chemical compound with molecular formula C13H7ClFNO4 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluoro-2-nitrophenyl) 4-chlorobenzoate
Also Known As: 4-fluoro-2-nitrophenyl 4-chlorobenzoate, 4-fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate, (4-fluoro-2-nitrophenyl) 4-chlorobenzoate, 4-fluoro-2-nitrophenyl4-chlorobenzoate, (4-fluoro-2-nitro-phenyl) 4-chlorobenzoate
| Molecular Formula | C13H7ClFNO4 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 3.6065 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.00476 |
| Heavy Atoms | 20 |
| Complexity | 672.5714 |
Chemical Identifiers
| CAS Number | 331459-80-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)F)[N+](=O)[O-])Cl |
Product Overview
4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate (CAS 331459-80-4), with molecular formula C13H7ClFNO4 and molecular weight 295.00 g/mol. IUPAC: (4-fluoro-2-nitrophenyl) 4-chlorobenzoate.
Chemical Property Profile of 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate
Property Insights of 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate
The XLogP value of 3.6065 indicates that 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate. Following Lipinski's Rule of Five, 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate has 0 hydrogen bond donor(s) and 4 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-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate?
The CAS number of 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate is 331459-80-4.
What is the molecular formula of 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate?
The molecular formula of 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate is C13H7ClFNO4.
What is the molecular weight of 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate?
The molecular weight of 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate is 295.00 g/mol.
Where can I buy 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate?
You can request a quote for 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-2-nitrophenyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.