![2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole structure](/static/products/3392/339277-21-3.webp)
2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole
TL;DR: 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole (CAS 339277-21-3) is a chemical compound with molecular formula C29H28N2S and molecular weight 436.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynylimidazole
Also Known As: 4K-551S, 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole, 2-[(4-tert-butylphenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynylimidazole, 4,5-diphenyl-1-prop-2-ynyl-2-[(4-tert-butylphenyl)methylsulfanyl]imidazole, 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4,5-diphenyl-1-(prop-2-yn-1-yl)-1H-imidazole
| Molecular Formula | C29H28N2S |
|---|---|
| Molecular Weight | 436.20 g/mol |
| LogP | 7.4401 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.19733 |
| Heavy Atoms | 32 |
| Complexity | 1208.6396 |
Chemical Identifiers
| CAS Number | 339277-21-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=C(N2CC#C)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole (CAS 339277-21-3), with molecular formula C29H28N2S and molecular weight 436.20 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynylimidazole.
Chemical Property Profile of 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole
Property Insights of 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole
The XLogP value of 7.4401 indicates that 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole?
The CAS number of 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole is 339277-21-3.
What is the molecular formula of 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole?
The molecular formula of 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole is C29H28N2S.
What is the molecular weight of 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole?
The molecular weight of 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole is 436.20 g/mol.
Where can I buy 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole?
You can request a quote for 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(tert-butyl)benzyl]sulfanyl}-4,5-diphenyl-1-(2-propynyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.