![6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one structure](/static/products/325/325804-87-3.png)
6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one
TL;DR: 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one (CAS 325804-87-3) is a chemical compound with molecular formula C18H12N4O5 and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one
Also Known As: BAS 01861207, 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one, 6-methoxy-3-(5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one, 6-methoxy-3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one, 6-Methoxy-3-[5-(3-nitro-phenyl)-4H-[1,2,4]triazol-3-yl]-chromen-2-one
| Molecular Formula | C18H12N4O5 |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 3.1619 |
| Topological Polar Surface Area | 124.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.08078 |
| Heavy Atoms | 27 |
| Complexity | 1227.8845 |
Chemical Identifiers
| CAS Number | 325804-87-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one (CAS 325804-87-3), with molecular formula C18H12N4O5 and molecular weight 364.08 g/mol. IUPAC: 6-methoxy-3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one.
Chemical Property Profile of 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one
Property Insights of 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one
The XLogP value of 3.1619 indicates that 6-methoxy-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 124.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one. Following Lipinski's Rule of Five, 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one 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 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one?
The CAS number of 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one is 325804-87-3.
What is the molecular formula of 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one?
The molecular formula of 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one is C18H12N4O5.
What is the molecular weight of 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one?
The molecular weight of 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one is 364.08 g/mol.
Where can I buy 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one?
You can request a quote for 6-methoxy-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 6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methoxy-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.