2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate
TL;DR: 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate (CAS 332383-71-8) is a chemical compound with molecular formula C16H12FN3O3 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
Also Known As: 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate, [2-(4-fluorophenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate, 2-(4-Fluorophenyl)-2-oxoethyl (1H-benzotriazol-1-yl)acetate, 2-(4-FLUOROPHENYL)-2-OXOETHYL 1H-1,2,3-BENZOTRIAZOL-1-YLACETATE, 2-(4-fluorophenyl)-2-oxoethyl 2-(1H-benzo[d][1,2,3]triazol-1-yl)acetate
| Molecular Formula | C16H12FN3O3 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 1.9965 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.08627 |
| Heavy Atoms | 23 |
| Complexity | 858.39276 |
Chemical Identifiers
| CAS Number | 332383-71-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC(=O)OCC(=O)C3=CC=C(C=C3)F |
Product Overview
2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate (CAS 332383-71-8), with molecular formula C16H12FN3O3 and molecular weight 313.09 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
Chemical Property Profile of 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate
Property Insights of 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate
The XLogP value of 1.9965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate. Following Lipinski's Rule of Five, 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate 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 1H-benzotriazol-1-ylacetate?
The CAS number of 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate is 332383-71-8.
What is the molecular formula of 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate?
The molecular formula of 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate is C16H12FN3O3.
What is the molecular weight of 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate?
The molecular weight of 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate is 313.09 g/mol.
Where can I buy 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate?
You can request a quote for 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate 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 1H-benzotriazol-1-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-fluorophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.