(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one
TL;DR: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one (CAS 895034-20-5) is a chemical compound with molecular formula C20H12BrN3O3S and molecular weight 452.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)imidazol-4-one
Also Known As: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)imidazol-4-one, (Z)-4-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(4-bromophenyl)-1-(thiazol-2-yl)-1H-imidazol-5(4H)-one, 5-(benzo[1,3]dioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)imidazol-4-one
| Molecular Formula | C20H12BrN3O3S |
|---|---|
| Molecular Weight | 452.98 g/mol |
| LogP | 4.4688 |
| Topological Polar Surface Area | 64.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.97827 |
| Heavy Atoms | 28 |
| Complexity | 1124.1075 |
Chemical Identifiers
| CAS Number | 895034-20-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=N3)C4=CC=C(C=C4)Br)C5=NC=CS5 |
Product Overview
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one (CAS 895034-20-5), with molecular formula C20H12BrN3O3S and molecular weight 452.98 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)imidazol-4-one.
Chemical Property Profile of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one
Property Insights of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one
The XLogP value of 4.4688 indicates that (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-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 (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one. Following Lipinski's Rule of Five, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one?
The CAS number of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one is 895034-20-5.
What is the molecular formula of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one?
The molecular formula of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one is C20H12BrN3O3S.
What is the molecular weight of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one?
The molecular weight of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one is 452.98 g/mol.
Where can I buy (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one?
You can request a quote for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-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 (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-bromophenyl)-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.