![1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone structure](/static/products/3459/345991-76-6.webp)
1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone
TL;DR: 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone (CAS 345991-76-6) is a chemical compound with molecular formula C24H27N3O2S and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
Also Known As: 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone, 1-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one, 1-({5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propan-2-one, 1-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}thio)acetone
| Molecular Formula | C24H27N3O2S |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 5.5751 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.1824 |
| Heavy Atoms | 30 |
| Complexity | 963.8759 |
Chemical Identifiers
| CAS Number | 345991-76-6 |
|---|---|
| SMILES | CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)C4CCCCC4 |
Product Overview
1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone (CAS 345991-76-6), with molecular formula C24H27N3O2S and molecular weight 421.18 g/mol. IUPAC: 1-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.
Chemical Property Profile of 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone
Property Insights of 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone
The XLogP value of 5.5751 indicates that 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone 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-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone?
The CAS number of 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone is 345991-76-6.
What is the molecular formula of 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone?
The molecular formula of 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone is C24H27N3O2S.
What is the molecular weight of 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone?
The molecular weight of 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone is 421.18 g/mol.
Where can I buy 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone?
You can request a quote for 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[[5-[(4-Cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.