4-Fluorophenyl 2,4-dinitrobenzoate
TL;DR: 4-Fluorophenyl 2,4-dinitrobenzoate (CAS 294194-30-2) 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-fluorophenyl) 2,4-dinitrobenzoate
Also Known As: 4-fluorophenyl 2,4-dinitrobenzoate, (4-fluorophenyl) 2,4-dinitrobenzoate
| 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 | 294194-30-2 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])F |
Product Overview
4-Fluorophenyl 2,4-dinitrobenzoate (CAS 294194-30-2), with molecular formula C13H7FN2O6 and molecular weight 306.03 g/mol. IUPAC: (4-fluorophenyl) 2,4-dinitrobenzoate.
Chemical Property Profile of 4-Fluorophenyl 2,4-dinitrobenzoate
Property Insights of 4-Fluorophenyl 2,4-dinitrobenzoate
The XLogP value of 2.8613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorophenyl 2,4-dinitrobenzoate. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluorophenyl 2,4-dinitrobenzoate. Following Lipinski's Rule of Five, 4-Fluorophenyl 2,4-dinitrobenzoate 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-Fluorophenyl 2,4-dinitrobenzoate?
The CAS number of 4-Fluorophenyl 2,4-dinitrobenzoate is 294194-30-2.
What is the molecular formula of 4-Fluorophenyl 2,4-dinitrobenzoate?
The molecular formula of 4-Fluorophenyl 2,4-dinitrobenzoate is C13H7FN2O6.
What is the molecular weight of 4-Fluorophenyl 2,4-dinitrobenzoate?
The molecular weight of 4-Fluorophenyl 2,4-dinitrobenzoate is 306.03 g/mol.
Where can I buy 4-Fluorophenyl 2,4-dinitrobenzoate?
You can request a quote for 4-Fluorophenyl 2,4-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 2,4-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 2,4-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.