3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione
TL;DR: 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione (CAS 500134-68-9) is a chemical compound with molecular formula C17H18BrNO4S and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(5-bromo-2,4-diethoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
Also Known As: AP-828/41265869, 3-allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione, (5Z)-5-[(5-bromo-2,4-diethoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione, (5Z)-5-(5-bromo-2,4-diethoxybenzylidene)-3-(prop-2-en-1-yl)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C17H18BrNO4S |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | 4.4688 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.01398 |
| Heavy Atoms | 24 |
| Complexity | 702.0761 |
Chemical Identifiers
| CAS Number | 500134-68-9 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1/C=C\2/C(=O)N(C(=O)S2)CC=C)Br)OCC |
Product Overview
3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione (CAS 500134-68-9), with molecular formula C17H18BrNO4S and molecular weight 411.01 g/mol. IUPAC: (5Z)-5-[(5-bromo-2,4-diethoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione
Property Insights of 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione
The XLogP value of 4.4688 indicates that 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione 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 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione?
The CAS number of 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione is 500134-68-9.
What is the molecular formula of 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular formula of 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione is C17H18BrNO4S.
What is the molecular weight of 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular weight of 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione is 411.01 g/mol.
Where can I buy 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione?
You can request a quote for 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-(5-bromo-2,4-diethoxybenzylidene)-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.