![3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one structure](/static/products/852/852696-81-2.png)
3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one
TL;DR: 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one (CAS 852696-81-2) is a chemical compound with molecular formula C21H16F3N3O3S and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one
Also Known As: 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one, F3057-0035, 1-(3-((8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio)propyl)-1H-benzo[d]imidazol-2(3H)-one, 1-(3-{[8-(trifluoromethyl)[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}propyl)-1,3-dihydro-2H-benzimidazol-2-one, 1-{3-[8-(trifluoromethyl)-2H-1,3-dioxoleno[4,5-g]quinolin-6-ylthio]propyl}-3-h ydrobenzimidazol-2-one
| Molecular Formula | C21H16F3N3O3S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 4.8077 |
| Topological Polar Surface Area | 69.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.08646 |
| Heavy Atoms | 31 |
| Complexity | 1346.9393 |
Chemical Identifiers
| CAS Number | 852696-81-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=CC(=N3)SCCCN4C5=CC=CC=C5NC4=O)C(F)(F)F |
Product Overview
3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one (CAS 852696-81-2), with molecular formula C21H16F3N3O3S and molecular weight 447.09 g/mol. IUPAC: 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one.
Chemical Property Profile of 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one
Property Insights of 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one
The XLogP value of 4.8077 indicates that 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one. Following Lipinski's Rule of Five, 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one has 1 hydrogen bond donor(s) and 5 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 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one?
The CAS number of 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one is 852696-81-2.
What is the molecular formula of 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one?
The molecular formula of 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one is C21H16F3N3O3S.
What is the molecular weight of 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one?
The molecular weight of 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one is 447.09 g/mol.
Where can I buy 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one?
You can request a quote for 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]propyl]-1H-benzimidazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.