5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one
TL;DR: 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one (CAS 866154-20-3) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 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-(dimethylamino)-1,3-thiazol-4-one
Also Known As: 5-(1,3-benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one, 5-(2H-1,3-BENZODIOXOL-5-YLMETHYLIDENE)-2-(DIMETHYLAMINO)-1,3-THIAZOL-4-ONE, 5-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-(dimethylamino)-1,3-thiazol-4(5H)-one
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 1.9472 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 607.90594 |
Chemical Identifiers
| CAS Number | 866154-20-3 |
|---|---|
| SMILES | CN(C)C1=NC(=O)C(=CC2=CC3=C(C=C2)OCO3)S1 |
Product Overview
5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one (CAS 866154-20-3), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one
Property Insights of 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one
The XLogP value of 1.9472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one. With a topological polar surface area (TPSA) of 51.13 Ų, 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one has 0 hydrogen bond donor(s) and 5 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)-2-(dimethylamino)-1,3-thiazol-4-one?
The CAS number of 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one is 866154-20-3.
What is the molecular formula of 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one?
The molecular formula of 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one is C13H12N2O3S.
What is the molecular weight of 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one?
The molecular weight of 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one is 276.06 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one?
You can request a quote for 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-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 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-ylmethylidene)-2-(dimethylamino)-1,3-thiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.