alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol
TL;DR: alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol (CAS 76608-49-6) is a chemical compound with molecular formula C15H25N3O and molecular weight 263.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
Also Known As: Triapenthenol, EINECS 278-497-0, alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol, (Z)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol, 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
| Molecular Formula | C15H25N3O |
|---|---|
| Molecular Weight | 263.20 g/mol |
| LogP | 3.1063 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.19977 |
| Heavy Atoms | 19 |
| Complexity | 411.09912 |
Chemical Identifiers
| CAS Number | 76608-49-6 |
|---|---|
| SMILES | CC(C)(C)C(/C(=C/C1CCCCC1)/N2C=NC=N2)O |
Product Overview
alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol (CAS 76608-49-6), with molecular formula C15H25N3O and molecular weight 263.20 g/mol. IUPAC: (Z)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol.
Chemical Property Profile of alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol
Property Insights of alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol
The XLogP value of 3.1063 indicates that alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol has 1 hydrogen bond donor(s) and 3 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 alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol?
The CAS number of alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol is 76608-49-6.
What is the molecular formula of alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol?
The molecular formula of alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol is C15H25N3O.
What is the molecular weight of alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol?
The molecular weight of alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol is 263.20 g/mol.
Where can I buy alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol?
You can request a quote for alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-tert-Butyl-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.