2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate
TL;DR: 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate (CAS 362-70-9) is a chemical compound with molecular formula C15H10FNO5 and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 2-nitrobenzoate
Also Known As: 2-(4-fluorophenyl)-2-oxoethyl 2-nitrobenzoate, BAS 02282331, BIM-0012665.P001, [2-(4-fluorophenyl)-2-oxoethyl] 2-nitrobenzoate, AB00104138-01
| Molecular Formula | C15H10FNO5 |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 2.7736 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.0543 |
| Heavy Atoms | 22 |
| Complexity | 726.9676 |
Chemical Identifiers
| CAS Number | 362-70-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-] |
Product Overview
2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate (CAS 362-70-9), with molecular formula C15H10FNO5 and molecular weight 303.05 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 2-nitrobenzoate.
Chemical Property Profile of 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate
Property Insights of 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate
The XLogP value of 2.7736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate?
The CAS number of 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate is 362-70-9.
What is the molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate?
The molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate is C15H10FNO5.
What is the molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate?
The molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate is 303.05 g/mol.
Where can I buy 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate?
You can request a quote for 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-2-oxoethyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.