(2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
TL;DR: (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol (CAS 80456-55-9) is a chemical compound with molecular formula C15H20ClN3O2 and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
Also Known As: vibunazole, Bay N 7133, (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol, 1H-1,2,4-Triazole-1-ethanol, .alpha.-[(4-chlorophenoxy)methyl]-.alpha.-(1,1-dimethylethyl)-
| Molecular Formula | C15H20ClN3O2 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 2.7877 |
| Topological Polar Surface Area | 60.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.1244 |
| Heavy Atoms | 21 |
| Complexity | 563.60474 |
Chemical Identifiers
| CAS Number | 80456-55-9 |
|---|---|
| SMILES | CC(C)(C)[C@@](CN1C=NC=N1)(COC2=CC=C(C=C2)Cl)O |
Product Overview
(2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol (CAS 80456-55-9), with molecular formula C15H20ClN3O2 and molecular weight 309.12 g/mol. IUPAC: (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol.
Chemical Property Profile of (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
Property Insights of (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
The XLogP value of 2.7877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol. The TPSA of 60.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol. Following Lipinski's Rule of Five, (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol 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 (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol?
The CAS number of (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol is 80456-55-9.
What is the molecular formula of (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol?
The molecular formula of (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol is C15H20ClN3O2.
What is the molecular weight of (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol?
The molecular weight of (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol is 309.12 g/mol.
Where can I buy (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol?
You can request a quote for (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.