(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one
TL;DR: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one (CAS 685121-73-7) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 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-ethylpiperazin-1-yl)-1,3-thiazol-4-one
Also Known As: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one, (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(4-ethylpiperazin-1-yl)thiazol-4(5H)-one, 5-(benzo[1,3]dioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one, (5Z)-5-[(2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-(4-ETHYLPIPERAZIN-1-YL)-4,5-DIHYDRO-1,3-THIAZOL-4-ONE
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.0231 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 723.791 |
Chemical Identifiers
| CAS Number | 685121-73-7 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/S2 |
Product Overview
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one (CAS 685121-73-7), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one.
Chemical Property Profile of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one
Property Insights of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one
The XLogP value of 2.0231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one. With a topological polar surface area (TPSA) of 54.37 Ų, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-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-ethylpiperazin-1-yl)-1,3-thiazol-4-one?
The CAS number of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one is 685121-73-7.
What is the molecular formula of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one?
The molecular formula of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one is C17H19N3O3S.
What is the molecular weight of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one?
The molecular weight of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one is 345.11 g/mol.
Where can I buy (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one?
You can request a quote for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-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-ethylpiperazin-1-yl)-1,3-thiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.