4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
TL;DR: 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 825599-83-5) is a chemical compound with molecular formula C16H8FNO6 and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) 6-nitro-2-oxochromene-3-carboxylate
Also Known As: 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate, VU0509865-1, (4-fluorophenyl) 6-nitro-2-oxochromene-3-carboxylate, AB00683039-01, 4-fluorophenyl 6-nitro-2-oxochromene-3-carboxylate
| Molecular Formula | C16H8FNO6 |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 3.0595 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.03357 |
| Heavy Atoms | 24 |
| Complexity | 1009.2465 |
Chemical Identifiers
| CAS Number | 825599-83-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)F |
Product Overview
4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 825599-83-5), with molecular formula C16H8FNO6 and molecular weight 329.03 g/mol. IUPAC: (4-fluorophenyl) 6-nitro-2-oxochromene-3-carboxylate.
Chemical Property Profile of 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
Property Insights of 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 3.0595 indicates that 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate 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 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The CAS number of 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is 825599-83-5.
What is the molecular formula of 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is C16H8FNO6.
What is the molecular weight of 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is 329.03 g/mol.
Where can I buy 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-fluorophenyl 6-nitro-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.