![4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone structure](/static/products/5685/568574-88-9.webp)
4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone
TL;DR: 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone (CAS 568574-88-9) is a chemical compound with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
Also Known As: 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone, 2-(1H-Benzimidazol-2-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(2-thienyl)-2-propen-1-one, 2-(1H-Benzimidazol-2-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one, 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-3-(2-thienyl)propylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one, 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-3-thiophen-2-yl-propylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one
| Molecular Formula | C22H18N2O4S |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 4.7707 |
| Topological Polar Surface Area | 84.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.09872 |
| Heavy Atoms | 29 |
| Complexity | 1150.7682 |
Chemical Identifiers
| CAS Number | 568574-88-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C=C(C2=NC3=CC=CC=C3N2)C(=O)C4=CC=CS4 |
Product Overview
4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone (CAS 568574-88-9), with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone
Property Insights of 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone
The XLogP value of 4.7707 indicates that 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone. Following Lipinski's Rule of Five, 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone has 2 hydrogen bond donor(s) and 6 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 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone?
The CAS number of 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone is 568574-88-9.
What is the molecular formula of 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone?
The molecular formula of 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone is C22H18N2O4S.
What is the molecular weight of 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone?
The molecular weight of 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone is 406.10 g/mol.
Where can I buy 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone?
You can request a quote for 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-thiophen-2-ylpropylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.