1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)-
TL;DR: 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)- (CAS 80553-79-3) is a chemical compound with molecular formula C16H23N3O2 and molecular weight 289.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-ol
Also Known As: Schinifoline, BAS-111..W, BAS-11100W, BAS-11104W, 1-phenoxy-5,5-dimethyl-3-4-hexanol
| Molecular Formula | C16H23N3O2 |
|---|---|
| Molecular Weight | 289.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.17902 |
| Heavy Atoms | 21 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 80553-79-3 |
|---|---|
| SMILES | CC(C)(C)C(C(CCOC1=CC=CC=C1)N2C=NC=N2)O |
| InChIKey | KECDDIBOVKGAEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)- (CAS 80553-79-3), with molecular formula C16H23N3O2 and molecular weight 289.18 g/mol. IUPAC: 2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-ol.
Chemical Property Profile of 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)-
Property Insights of 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)-
The XLogP value of 3.1 indicates that 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)- has 1 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 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)-?
The CAS number of 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)- is 80553-79-3.
What is the molecular formula of 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)-?
The molecular formula of 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)- is C16H23N3O2.
What is the molecular weight of 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)-?
The molecular weight of 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)- is 289.18 g/mol.
Where can I buy 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)-?
You can request a quote for 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)- 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-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(2-phenoxyethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.