(1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
TL;DR: (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol (CAS 89497-64-3) is a chemical compound with molecular formula C14H18ClN3O2 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Also Known As: Baytan, Triadimenol B, Triadimenol II, Threo-Triadimenol, Triadimenol, threo-
| Molecular Formula | C14H18ClN3O2 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 2.9161 |
| Topological Polar Surface Area | 60.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.10876 |
| Heavy Atoms | 20 |
| Complexity | 534.5467 |
Chemical Identifiers
| CAS Number | 89497-64-3 |
|---|---|
| SMILES | CC(C)(C)[C@H]([C@H](N1C=NC=N1)OC2=CC=C(C=C2)Cl)O |
Product Overview
(1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol (CAS 89497-64-3), with molecular formula C14H18ClN3O2 and molecular weight 295.11 g/mol. IUPAC: (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Property Insights of (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
The XLogP value of 2.9161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol. The TPSA of 60.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol. Following Lipinski's Rule of Five, (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)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 (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The CAS number of (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol is 89497-64-3.
What is the molecular formula of (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The molecular formula of (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol is C14H18ClN3O2.
What is the molecular weight of (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The molecular weight of (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol is 295.11 g/mol.
Where can I buy (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
You can request a quote for (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)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 (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for (1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.