4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-
TL;DR: 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)- (CAS 119584-88-2) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyltriazol-4-yl)chromen-4-one
Also Known As: 2-(1-methyltriazol-4-yl)chromen-4-one, 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-, 2-(1-Methyl-1H-1,2,3-triazol-4-yl)-4H-1-benzopyran-4-one, BRN 4190570, RefChem:297230
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.5885 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 742.5906 |
Chemical Identifiers
| CAS Number | 119584-88-2 |
|---|---|
| SMILES | CN1C=C(N=N1)C2=CC(=O)C3=CC=CC=C3O2 |
Product Overview
4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)- (CAS 119584-88-2), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: 2-(1-methyltriazol-4-yl)chromen-4-one.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-
Property Insights of 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-
The XLogP value of 1.5885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)- has 0 hydrogen bond donor(s) and 4 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 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-?
The CAS number of 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)- is 119584-88-2.
What is the molecular formula of 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-?
The molecular formula of 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)- is C12H9N3O2.
What is the molecular weight of 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-?
The molecular weight of 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)- is 227.07 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-?
You can request a quote for 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.