(5-Fluoro-2-nitrophenyl) 4-chlorobenzoate
TL;DR: (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate (CAS 1290636-89-3) 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.
(5-fluoro-2-nitrophenyl) 4-chlorobenzoate
Also Known As: Benzoic acid, 4-chloro-, 5-fluoro-2-nitrophenyl ester
| 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 | 1290636-89-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-])Cl |
Product Overview
(5-Fluoro-2-nitrophenyl) 4-chlorobenzoate (CAS 1290636-89-3), with molecular formula C13H7ClFNO4 and molecular weight 295.00 g/mol. IUPAC: (5-fluoro-2-nitrophenyl) 4-chlorobenzoate.
Chemical Property Profile of (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate
Property Insights of (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate
The XLogP value of 3.6065 indicates that (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate 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 (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate. Following Lipinski's Rule of Five, (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate 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 (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate?
The CAS number of (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate is 1290636-89-3.
What is the molecular formula of (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate?
The molecular formula of (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate is C13H7ClFNO4.
What is the molecular weight of (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate?
The molecular weight of (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate is 295.00 g/mol.
Where can I buy (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate?
You can request a quote for (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Fluoro-2-nitrophenyl) 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.