1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
TL;DR: 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one (CAS 43121-37-5) is a chemical compound with molecular formula C20H21N3O2 and molecular weight 335.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-one
Also Known As: Bitertanol-Ketone, EINECS 256-102-2, 1-([1,1'-BIPHENYL]-4-YLOXY)-3,3-DIMETHYL-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-ONE, 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one, 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-one
| Molecular Formula | C20H21N3O2 |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | 4.1379 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.1634 |
| Heavy Atoms | 25 |
| Complexity | 819.63763 |
Chemical Identifiers
| CAS Number | 43121-37-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3 |
Product Overview
1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one (CAS 43121-37-5), with molecular formula C20H21N3O2 and molecular weight 335.16 g/mol. IUPAC: 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-one.
Chemical Property Profile of 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
Property Insights of 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
The XLogP value of 4.1379 indicates that 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one 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 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one?
The CAS number of 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is 43121-37-5.
What is the molecular formula of 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one?
The molecular formula of 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is C20H21N3O2.
What is the molecular weight of 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one?
The molecular weight of 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is 335.16 g/mol.
Where can I buy 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one?
You can request a quote for 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((1,1'-Biphenyl)-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.