3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one
TL;DR: 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one (CAS 325804-88-4) is a chemical compound with molecular formula C17H10N4O4 and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one
Also Known As: BAS 01861208, 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one, 3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one, 3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one, F0777-2222
| Molecular Formula | C17H10N4O4 |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 3.1533 |
| Topological Polar Surface Area | 114.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0702 |
| Heavy Atoms | 25 |
| Complexity | 1162.4967 |
Chemical Identifiers
| CAS Number | 325804-88-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one (CAS 325804-88-4), with molecular formula C17H10N4O4 and molecular weight 334.07 g/mol. IUPAC: 3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one.
Chemical Property Profile of 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one
Property Insights of 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one
The XLogP value of 3.1533 indicates that 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-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 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one?
The CAS number of 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one is 325804-88-4.
What is the molecular formula of 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one?
The molecular formula of 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one is C17H10N4O4.
What is the molecular weight of 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one?
The molecular weight of 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one is 334.07 g/mol.
Where can I buy 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one?
You can request a quote for 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.