![2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one structure](/static/products/313/313519-38-9.png)
2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one
TL;DR: 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one (CAS 313519-38-9) is a chemical compound with molecular formula C21H12N4O4 and molecular weight 384.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]benzo[f]chromen-3-one
Also Known As: BAS 01019967, NCI60_038666, 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one, 2-(5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)-3H-benzo[f]chromen-3-one, 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]benzo[f]chromen-3-one
| Molecular Formula | C21H12N4O4 |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.08585 |
| Heavy Atoms | 29 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 313519-38-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC(=NN4)C5=CC=C(C=C5)[N+](=O)[O-] |
| InChIKey | IRLJKCRAKCEEFC-UHFFFAOYSA-N |
Product Overview
2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one (CAS 313519-38-9), with molecular formula C21H12N4O4 and molecular weight 384.09 g/mol. IUPAC: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]benzo[f]chromen-3-one.
Chemical Property Profile of 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one
Property Insights of 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one
The XLogP value of 4.4 indicates that 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one. Following Lipinski's Rule of Five, 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one 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-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one?
The CAS number of 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one is 313519-38-9.
What is the molecular formula of 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one?
The molecular formula of 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one is C21H12N4O4.
What is the molecular weight of 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one?
The molecular weight of 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one is 384.09 g/mol.
Where can I buy 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one?
You can request a quote for 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.