4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
TL;DR: 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol (CAS 112000-50-7) is a chemical compound with molecular formula C16H23N3O and molecular weight 273.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Also Known As: Tebuconazole Impurity, 4,4-dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol, 4,4-Dimethyl-1-phenyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol, 4,4-dimethyl-1-phenyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol
| Molecular Formula | C16H23N3O |
|---|---|
| Molecular Weight | 273.18 g/mol |
| LogP | 2.6881 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1841 |
| Heavy Atoms | 20 |
| Complexity | 516.41 |
Chemical Identifiers
| CAS Number | 112000-50-7 |
|---|---|
| SMILES | CC(C)(C)C(CCC1=CC=CC=C1)(CN2C=NC=N2)O |
Product Overview
4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol (CAS 112000-50-7), with molecular formula C16H23N3O and molecular weight 273.18 g/mol. IUPAC: 4,4-dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol.
Chemical Property Profile of 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Property Insights of 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
The XLogP value of 2.6881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol. With a topological polar surface area (TPSA) of 50.94 Ų, 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol 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 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol?
The CAS number of 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol is 112000-50-7.
What is the molecular formula of 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol?
The molecular formula of 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol is C16H23N3O.
What is the molecular weight of 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol?
The molecular weight of 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol is 273.18 g/mol.
Where can I buy 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol?
You can request a quote for 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-1-phenyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.