![[2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate structure](/static/products/3459/345952-22-9.webp)
[2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate
TL;DR: [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate (CAS 345952-22-9) is a chemical compound with molecular formula C20H17FN4O5 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate
Also Known As: [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate, 2-((2-fluorophenyl)amino)-2-oxoethyl 4-((5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzoate, 2-[(2-fluorophenyl)amino]-2-oxoethyl 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
| Molecular Formula | C20H17FN4O5 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 3.08262 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.1183 |
| Heavy Atoms | 30 |
| Complexity | 1094.8312 |
Chemical Identifiers
| CAS Number | 345952-22-9 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3F)[N+](=O)[O-] |
Product Overview
[2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate (CAS 345952-22-9), with molecular formula C20H17FN4O5 and molecular weight 412.12 g/mol. IUPAC: [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate.
Chemical Property Profile of [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate
Property Insights of [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate
The XLogP value of 3.08262 indicates that [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate. Following Lipinski's Rule of Five, [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate has 1 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 [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate?
The CAS number of [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate is 345952-22-9.
What is the molecular formula of [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate?
The molecular formula of [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate is C20H17FN4O5.
What is the molecular weight of [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate?
The molecular weight of [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate is 412.12 g/mol.
Where can I buy [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate?
You can request a quote for [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.