![1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium structure](/static/products/474/47456-03-1.png)
1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium
TL;DR: 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium (CAS 47456-03-1) is a chemical compound with molecular formula C17H17N6O2+ and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-ethyl-5-methyltriazol-2-yl)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)chromen-2-one
Also Known As: 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium, 1-[2-oxo-7-2h-1-benzopyran-3-yl]-4-methyl-1h-1,2,4-triazole-4-ium, 7-(4-ethyl-5-methyltriazol-2-yl)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)chromen-2-one, 1-[2-Oxo-7-(4-methyl-5-ethyl-2H-1,2,3-triazole-2-yl)-2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium, 1-[7-(4-Ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazol-4-ium
| Molecular Formula | C17H17N6O2+ |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.1413 |
| Heavy Atoms | 25 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 47456-03-1 |
|---|---|
| SMILES | CCC1=NN(N=C1C)C2=CC3=C(C=C2)C=C(C(=O)O3)N4C=[N+](C=N4)C |
| InChIKey | HEECIXHOBIKARZ-UHFFFAOYSA-N |
Product Overview
1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium (CAS 47456-03-1), with molecular formula C17H17N6O2+ and molecular weight 337.14 g/mol. IUPAC: 7-(4-ethyl-5-methyltriazol-2-yl)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)chromen-2-one.
Chemical Property Profile of 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium
Property Insights of 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium
The XLogP value of 3.2 indicates that 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium. Following Lipinski's Rule of Five, 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium has 0 hydrogen bond donor(s) and 5 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 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium?
The CAS number of 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium is 47456-03-1.
What is the molecular formula of 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium?
The molecular formula of 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium is C17H17N6O2+.
What is the molecular weight of 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium?
The molecular weight of 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium is 337.14 g/mol.
Where can I buy 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium?
You can request a quote for 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-Oxo-7- -2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazole-4-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.