(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one
TL;DR: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one (CAS 895029-01-3) is a chemical compound with molecular formula C20H11Cl2N3O3S and molecular weight 442.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)imidazol-4-one
Also Known As: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one, (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)imidazol-4-one, (E)-4-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(2,4-dichlorophenyl)-1-(thiazol-2-yl)-1H-imidazol-5(4H)-one, 5-(benzo[1,3]dioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)imidazol-4-one
| Molecular Formula | C20H11Cl2N3O3S |
|---|---|
| Molecular Weight | 442.99 g/mol |
| LogP | 5.0131 |
| Topological Polar Surface Area | 64.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.9898 |
| Heavy Atoms | 29 |
| Complexity | 1191.687 |
Chemical Identifiers
| CAS Number | 895029-01-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N(C(=N3)C4=C(C=C(C=C4)Cl)Cl)C5=NC=CS5 |
Product Overview
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one (CAS 895029-01-3), with molecular formula C20H11Cl2N3O3S and molecular weight 442.99 g/mol. IUPAC: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)imidazol-4-one.
Chemical Property Profile of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one
Property Insights of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one
The XLogP value of 5.0131 indicates that (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one. Following Lipinski's Rule of Five, (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one?
The CAS number of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one is 895029-01-3.
What is the molecular formula of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one?
The molecular formula of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one is C20H11Cl2N3O3S.
What is the molecular weight of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one?
The molecular weight of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one is 442.99 g/mol.
Where can I buy (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one?
You can request a quote for (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-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 (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.