1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl-
TL;DR: 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl- (CAS 94125-58-3) is a chemical compound with molecular formula C14H16ClN3O2 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one
Also Known As: 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl-, 2-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one, 2-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-1-one
| Molecular Formula | C14H16ClN3O2 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.0931 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 94125-58-3 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)N1C=NC=N1)OC2=CC=C(C=C2)Cl |
| InChIKey | NGDZUBMBZYKXON-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl- (CAS 94125-58-3), with molecular formula C14H16ClN3O2 and molecular weight 293.09 g/mol. IUPAC: 2-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one.
Chemical Property Profile of 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl-
Property Insights of 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl-
The XLogP value of 4.0 indicates that 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl- has 0 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-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl-?
The CAS number of 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl- is 94125-58-3.
What is the molecular formula of 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl-?
The molecular formula of 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl- is C14H16ClN3O2.
What is the molecular weight of 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl-?
The molecular weight of 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl- is 293.09 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl-?
You can request a quote for 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl- 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-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1-(2-(4-chlorophenoxy)-3,3-dimethyl-1-oxobutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.