![2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate structure](/static/products/6918/691891-14-2.webp)
2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate
TL;DR: 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate (CAS 691891-14-2) is a chemical compound with molecular formula C19H14ClF3N2O2S and molecular weight 426.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,1,1-trifluoro-3-(1-phenylimidazol-2-yl)sulfanylpropan-2-yl] 3-chlorobenzoate
Also Known As: 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate, 5R-0067, [1,1,1-trifluoro-3-(1-phenylimidazol-2-yl)sulfanylpropan-2-yl] 3-chlorobenzoate, 1,1,1-trifluoro-3-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]propan-2-yl 3-chlorobenzoate, [1,1,1-trifluoro-3-(1-phenylimidazol-2-yl)sulfanyl-propan-2-yl] 3-chlorobenzoate
| Molecular Formula | C19H14ClF3N2O2S |
|---|---|
| Molecular Weight | 426.04 g/mol |
| LogP | 5.4057 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.04166 |
| Heavy Atoms | 28 |
| Complexity | 947.60675 |
Chemical Identifiers
| CAS Number | 691891-14-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CN=C2SCC(C(F)(F)F)OC(=O)C3=CC(=CC=C3)Cl |
Product Overview
2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate (CAS 691891-14-2), with molecular formula C19H14ClF3N2O2S and molecular weight 426.04 g/mol. IUPAC: [1,1,1-trifluoro-3-(1-phenylimidazol-2-yl)sulfanylpropan-2-yl] 3-chlorobenzoate.
Chemical Property Profile of 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate
Property Insights of 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate
The XLogP value of 5.4057 indicates that 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate?
The CAS number of 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate is 691891-14-2.
What is the molecular formula of 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate?
The molecular formula of 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate is C19H14ClF3N2O2S.
What is the molecular weight of 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate?
The molecular weight of 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate is 426.04 g/mol.
Where can I buy 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate?
You can request a quote for 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoro-1-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}ethyl 3-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.