2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate
TL;DR: 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate (CAS 332383-69-4) is a chemical compound with molecular formula C16H12N4O5 and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
Also Known As: BAS 01538415, 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate, [2-(4-nitrophenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate, Benzotriazol-1-yl-acetic acid 2-(4-nitro-phenyl)-2-oxo-ethyl ester, 2-(4-NITROPHENYL)-2-OXOETHYL 1H-1,2,3-BENZOTRIAZOL-1-YLACETATE
| Molecular Formula | C16H12N4O5 |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 1.7656 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.08078 |
| Heavy Atoms | 25 |
| Complexity | 948.5733 |
Chemical Identifiers
| CAS Number | 332383-69-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate (CAS 332383-69-4), with molecular formula C16H12N4O5 and molecular weight 340.08 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
Chemical Property Profile of 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate
Property Insights of 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate
The XLogP value of 1.7656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate. The TPSA of 117.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate. Following Lipinski's Rule of Five, 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate has 0 hydrogen bond donor(s) and 7 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-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate?
The CAS number of 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate is 332383-69-4.
What is the molecular formula of 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate?
The molecular formula of 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate is C16H12N4O5.
What is the molecular weight of 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate?
The molecular weight of 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate is 340.08 g/mol.
Where can I buy 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate?
You can request a quote for 2-(4-nitrophenyl)-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-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitrophenyl)-2-oxoethyl 1H-benzotriazol-1-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.