1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)-
TL;DR: 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)- (CAS 98518-96-8) is a chemical compound with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(1-benzofuran-2-yl)-2,2-dimethoxyethyl]-1,2,4-triazole
Also Known As: 3-(benzyloxy)propyl Methanesulfonate, 1-(2-(2-Benzofuranyl)-2,2-dimethoxyethyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)-, 2-(Benzofuran-2-yl)-1,1-dimethoxy-2-(1H-1,2,4-triazolyl)-ethan, 2-(Benzofuran-2-yl)-1,1-dimethoxy-2-(1H-1,2,4-triazolyl)-ethan [German]
| Molecular Formula | C14H15N3O3 |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 2.1701 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.11133 |
| Heavy Atoms | 20 |
| Complexity | 653.58734 |
Chemical Identifiers
| CAS Number | 98518-96-8 |
|---|---|
| SMILES | COC(CN1C=NC=N1)(C2=CC3=CC=CC=C3O2)OC |
Product Overview
1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)- (CAS 98518-96-8), with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol. IUPAC: 1-[2-(1-benzofuran-2-yl)-2,2-dimethoxyethyl]-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)-
Property Insights of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)-
The XLogP value of 2.1701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)-. 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)-2,2-dimethoxyethyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)- 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)-2,2-dimethoxyethyl)-?
The CAS number of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)- is 98518-96-8.
What is the molecular formula of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)-?
The molecular formula of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)- is C14H15N3O3.
What is the molecular weight of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)-?
The molecular weight of 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)- is 273.11 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)-?
You can request a quote for 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)- 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)-2,2-dimethoxyethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-2,2-dimethoxyethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.