5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione
TL;DR: 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione (CAS 444782-72-3) is a chemical compound with molecular formula C14H14BrNO2S and molecular weight 338.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromophenyl)methylidene]-3-butan-2-yl-1,3-thiazolidine-2,4-dione
Also Known As: 5-(3-bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione, AH-487/41143176, (5E)-5-(3-bromobenzylidene)-3-(butan-2-yl)-1,3-thiazolidine-2,4-dione, (5E)-5-[(3-bromophenyl)methylidene]-3-butan-2-yl-1,3-thiazolidine-2,4-dione
| Molecular Formula | C14H14BrNO2S |
|---|---|
| Molecular Weight | 338.99 g/mol |
| LogP | 4.2839 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.99286 |
| Heavy Atoms | 19 |
| Complexity | 556.1319 |
Chemical Identifiers
| CAS Number | 444782-72-3 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C\C2=CC(=CC=C2)Br)/SC1=O |
Product Overview
5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione (CAS 444782-72-3), with molecular formula C14H14BrNO2S and molecular weight 338.99 g/mol. IUPAC: (5E)-5-[(3-bromophenyl)methylidene]-3-butan-2-yl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione
Property Insights of 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione
The XLogP value of 4.2839 indicates that 5-(3-Bromobenzylidene)-3-sec-butyl-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 37.38 Ų, 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione has 0 hydrogen bond donor(s) and 3 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-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione?
The CAS number of 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione is 444782-72-3.
What is the molecular formula of 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione?
The molecular formula of 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione is C14H14BrNO2S.
What is the molecular weight of 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione?
The molecular weight of 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione is 338.99 g/mol.
Where can I buy 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione?
You can request a quote for 5-(3-Bromobenzylidene)-3-sec-butyl-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 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Bromobenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.