4H-946
TL;DR: 4H-946 (CAS 338422-58-5) is a chemical compound with molecular formula C14H15F3N2O2S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol
Also Known As: 4H-946, [1-Methyl-2-({2-[3-(trifluoromethyl)phenoxy]ethyl}thio)-1H-imidazol-5-yl]methanol, [1-methyl-2-({2-[3-(trifluoromethyl)phenoxy]ethyl}sulfanyl)-1H-imidazol-5-yl]methanol, [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol, [1-Methyl-2-({2-[3-(trifluoromethyl)phenoxy]ethyl}thio)-1H-imidazol-5-yl]methanol 97%
| Molecular Formula | C14H15F3N2O2S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 3.1023 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.08063 |
| Heavy Atoms | 22 |
| Complexity | 628.7908 |
Chemical Identifiers
| CAS Number | 338422-58-5 |
|---|---|
| SMILES | CN1C(=CN=C1SCCOC2=CC=CC(=C2)C(F)(F)F)CO |
Product Overview
4H-946 (CAS 338422-58-5), with molecular formula C14H15F3N2O2S and molecular weight 332.08 g/mol. IUPAC: [3-methyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]imidazol-4-yl]methanol.
Chemical Property Profile of 4H-946
Property Insights of 4H-946
The XLogP value of 3.1023 indicates that 4H-946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.28 Ų, 4H-946 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-946 has 1 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 4H-946?
The CAS number of 4H-946 is 338422-58-5.
What is the molecular formula of 4H-946?
The molecular formula of 4H-946 is C14H15F3N2O2S.
What is the molecular weight of 4H-946?
The molecular weight of 4H-946 is 332.08 g/mol.
Where can I buy 4H-946?
You can request a quote for 4H-946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-946?
Yes, KEHONG BIO provides custom synthesis services for 4H-946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.