5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate
TL;DR: 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate (CAS 219689-91-5) is a chemical compound with molecular formula C13H6F3NO4 and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-2-nitrophenyl) 2,6-difluorobenzoate
Also Known As: 5-fluoro-2-nitrophenyl 2,6-difluorobenzoate, (5-fluoro-2-nitrophenyl) 2,6-difluorobenzoate
| Molecular Formula | C13H6F3NO4 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | 3.2313 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0249 |
| Heavy Atoms | 21 |
| Complexity | 713.10144 |
Chemical Identifiers
| CAS Number | 219689-91-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-])F |
Product Overview
5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate (CAS 219689-91-5), with molecular formula C13H6F3NO4 and molecular weight 297.02 g/mol. IUPAC: (5-fluoro-2-nitrophenyl) 2,6-difluorobenzoate.
Chemical Property Profile of 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate
Property Insights of 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate
The XLogP value of 3.2313 indicates that 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate 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 2,6-difluorobenzoate. Following Lipinski's Rule of Five, 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate 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 2,6-difluorobenzoate?
The CAS number of 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate is 219689-91-5.
What is the molecular formula of 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate?
The molecular formula of 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate is C13H6F3NO4.
What is the molecular weight of 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate?
The molecular weight of 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate is 297.02 g/mol.
Where can I buy 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate?
You can request a quote for 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate 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 2,6-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-2-nitrophenyl 2,6-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.