1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-
TL;DR: 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)- (CAS 98519-07-4) is a chemical compound with molecular formula C15H14ClN3O3 and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(5-chloro-1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1-((2-(5-Chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-, 2-(5-Chloro-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-1,3-dioxan [German], 2-(5-Chloro-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-1,3-dioxan, 1-((2-(5-Chlorobenzofuran-2-yl)-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole
| Molecular Formula | C15H14ClN3O3 |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 2.9676 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.07236 |
| Heavy Atoms | 22 |
| Complexity | 778.54083 |
Chemical Identifiers
| CAS Number | 98519-07-4 |
|---|---|
| SMILES | C1COC(OC1)(CN2C=NC=N2)C3=CC4=C(O3)C=CC(=C4)Cl |
Product Overview
1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)- (CAS 98519-07-4), with molecular formula C15H14ClN3O3 and molecular weight 319.07 g/mol. IUPAC: 1-[[2-(5-chloro-1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-
Property Insights of 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-
The XLogP value of 2.9676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-. The TPSA of 62.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)- 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 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-?
The CAS number of 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)- is 98519-07-4.
What is the molecular formula of 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-?
The molecular formula of 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)- is C15H14ClN3O3.
What is the molecular weight of 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-?
The molecular weight of 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)- is 319.07 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-?
You can request a quote for 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.