4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate
TL;DR: 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate (CAS 331459-77-9) is a chemical compound with molecular formula C13H7FN2O6 and molecular weight 306.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluoro-2-nitrophenyl) 4-nitrobenzoate
Also Known As: 4-fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate, 4-fluoro-2-nitrophenyl 4-nitrobenzoate, (4-fluoro-2-nitrophenyl) 4-nitrobenzoate, 4-fluoro-2-nitrophenyl4-nitrobenzoate, (4-fluoro-2-nitro-phenyl) 4-nitrobenzoate
| Molecular Formula | C13H7FN2O6 |
|---|---|
| Molecular Weight | 306.03 g/mol |
| LogP | 2.8613 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0288 |
| Heavy Atoms | 22 |
| Complexity | 759.6257 |
Chemical Identifiers
| CAS Number | 331459-77-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate (CAS 331459-77-9), with molecular formula C13H7FN2O6 and molecular weight 306.03 g/mol. IUPAC: (4-fluoro-2-nitrophenyl) 4-nitrobenzoate.
Chemical Property Profile of 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate
Property Insights of 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate
The XLogP value of 2.8613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate has 0 hydrogen bond donor(s) and 6 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-nitrobenzenecarboxylate?
The CAS number of 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate is 331459-77-9.
What is the molecular formula of 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate?
The molecular formula of 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate is C13H7FN2O6.
What is the molecular weight of 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate?
The molecular weight of 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate is 306.03 g/mol.
Where can I buy 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate?
You can request a quote for 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate 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-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-2-nitrophenyl 4-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.