4K-596S
TL;DR: 4K-596S (CAS 339277-70-2) is a chemical compound with molecular formula C26H22N2OS and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynylimidazole
Also Known As: 4K-596S, 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynylimidazole, 4-({[4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl]sulfanyl}methyl)phenyl methyl ether, 2-{[(4-methoxyphenyl)methyl]sulfanyl}-4,5-diphenyl-1-(prop-2-yn-1-yl)-1H-imidazole, 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynyl-imidazole
| Molecular Formula | C26H22N2OS |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 6.1512 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.1453 |
| Heavy Atoms | 30 |
| Complexity | 1143.6204 |
Chemical Identifiers
| CAS Number | 339277-70-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NC(=C(N2CC#C)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
4K-596S (CAS 339277-70-2), with molecular formula C26H22N2OS and molecular weight 410.15 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-ynylimidazole.
Chemical Property Profile of 4K-596S
Property Insights of 4K-596S
The XLogP value of 6.1512 indicates that 4K-596S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, 4K-596S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4K-596S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4K-596S?
The CAS number of 4K-596S is 339277-70-2.
What is the molecular formula of 4K-596S?
The molecular formula of 4K-596S is C26H22N2OS.
What is the molecular weight of 4K-596S?
The molecular weight of 4K-596S is 410.15 g/mol.
Where can I buy 4K-596S?
You can request a quote for 4K-596S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4K-596S?
Yes, KEHONG BIO provides custom synthesis services for 4K-596S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.