![2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone structure](/static/products/5568/55682-70-7.webp)
2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone
TL;DR: 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone (CAS 55682-70-7) is a chemical compound with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone
| Molecular Formula | C22H16N4O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.11716 |
| Heavy Atoms | 30 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 55682-70-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=C2C(N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=CC=C4)O |
| InChIKey | UTEDDNZALSBWNV-UHFFFAOYSA-N |
Product Overview
2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone (CAS 55682-70-7), with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol. IUPAC: 2-[5-hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone.
Chemical Property Profile of 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone
Property Insights of 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone
The XLogP value of 4.4 indicates that 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone. Following Lipinski's Rule of Five, 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone has 1 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-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone?
The CAS number of 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone is 55682-70-7.
What is the molecular formula of 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone?
The molecular formula of 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone is C22H16N4O4.
What is the molecular weight of 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone?
The molecular weight of 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone is 400.12 g/mol.
Where can I buy 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone?
You can request a quote for 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-Hydroxy-1-(4-nitrophenyl)-5-phenyltriazol-4-ylidene]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.