1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide
TL;DR: 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide (CAS 339020-33-6) is a chemical compound with molecular formula C13H11F3N2S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole
Also Known As: 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide, 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole, 7N-784, 1-phenyl-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-imidazole, 1-phenyl-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]imidazole
| Molecular Formula | C13H11F3N2S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 4.4321 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.0595 |
| Heavy Atoms | 19 |
| Complexity | 562.2771 |
Chemical Identifiers
| CAS Number | 339020-33-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CN=C2SCCC(=C(F)F)F |
Product Overview
1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide (CAS 339020-33-6), with molecular formula C13H11F3N2S and molecular weight 284.06 g/mol. IUPAC: 1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole.
Chemical Property Profile of 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide
Property Insights of 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide
The XLogP value of 4.4321 indicates that 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide has 0 hydrogen bond donor(s) and 2 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 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide?
The CAS number of 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide is 339020-33-6.
What is the molecular formula of 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide?
The molecular formula of 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide is C13H11F3N2S.
What is the molecular weight of 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide?
The molecular weight of 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide is 284.06 g/mol.
Where can I buy 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide?
You can request a quote for 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-1H-imidazol-2-yl 3,4,4-trifluoro-3-butenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.