1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-
TL;DR: 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis- (CAS 98532-83-3) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(2R,4R)-2-(1-benzofuran-2-yl)-4-methyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
Also Known As: cis-1-(2-(2-Benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-, cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-methyl-1,3-dioxan, cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-methyl-1,3-dioxan [German], 1-[[(2R,4R)-2-(1-benzofuran-2-yl)-4-methyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 2.7027 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 734.8977 |
Chemical Identifiers
| CAS Number | 98532-83-3 |
|---|---|
| SMILES | C[C@@H]1CCO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3 |
Product Overview
1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis- (CAS 98532-83-3), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: 1-[[(2R,4R)-2-(1-benzofuran-2-yl)-4-methyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-
Property Insights of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-
The XLogP value of 2.7027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-. The TPSA of 62.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis- 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-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-?
The CAS number of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis- is 98532-83-3.
What is the molecular formula of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-?
The molecular formula of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis- is C16H17N3O3.
What is the molecular weight of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-?
The molecular weight of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis- is 299.13 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-?
You can request a quote for 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis- 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-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.