![5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one structure](/static/products/865/865659-83-2.png)
5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one
TL;DR: 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one (CAS 865659-83-2) is a chemical compound with molecular formula C34H44N4O3S and molecular weight 588.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylidene)-2-(3,7-dimethyloct-6-enylsulfanyl)-3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]imidazol-4-one
Also Known As: 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one, 5-(1,3-benzodioxol-5-ylmethylidene)-2-(3,7-dimethyloct-6-enylsulfanyl)-3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]imidazol-4-one
| Molecular Formula | C34H44N4O3S |
|---|---|
| Molecular Weight | 588.31 g/mol |
| LogP | 6.85674 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 588.3134 |
| Heavy Atoms | 42 |
| Complexity | 1352.5872 |
Chemical Identifiers
| CAS Number | 865659-83-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2CCN(CC2)CN3C(=O)C(=CC4=CC5=C(C=C4)OCO5)N=C3SCCC(C)CCC=C(C)C |
Product Overview
5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one (CAS 865659-83-2), with molecular formula C34H44N4O3S and molecular weight 588.31 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylidene)-2-(3,7-dimethyloct-6-enylsulfanyl)-3-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]imidazol-4-one.
Chemical Property Profile of 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one
Property Insights of 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one
The XLogP value of 6.85674 indicates that 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one?
The CAS number of 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one is 865659-83-2.
What is the molecular formula of 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one?
The molecular formula of 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one is C34H44N4O3S.
What is the molecular weight of 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one?
The molecular weight of 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one is 588.31 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one?
You can request a quote for 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-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-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3,7-dimethyl-6-octenyl)sulfanyl]-3-{[4-(2,6-dimethylphenyl)piperazino]methyl}-3,5-dihydro-4H-imidazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.