![5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one structure](/static/products/5639/5639-96-3.webp)
5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one
TL;DR: 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one (CAS 5639-96-3) is a chemical compound with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one
Also Known As: 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one, 5-[(2H-1,3-Benzodioxol-5-yl)methylidene]-3-(4-methylphenyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-imidazol-4-one
| Molecular Formula | C26H27N3O4S |
|---|---|
| Molecular Weight | 477.17 g/mol |
| LogP | 4.45912 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.17224 |
| Heavy Atoms | 34 |
| Complexity | 1167.0682 |
Chemical Identifiers
| CAS Number | 5639-96-3 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC(=CC3=CC4=C(C=C3)OCO4)C(=O)N2C5=CC=C(C=C5)C |
Product Overview
5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one (CAS 5639-96-3), with molecular formula C26H27N3O4S and molecular weight 477.17 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one.
Chemical Property Profile of 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one
Property Insights of 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one
The XLogP value of 4.45912 indicates that 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one has 0 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 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one?
The CAS number of 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one is 5639-96-3.
What is the molecular formula of 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one?
The molecular formula of 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one is C26H27N3O4S.
What is the molecular weight of 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one?
The molecular weight of 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one is 477.17 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one?
You can request a quote for 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylimidazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.