(5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
TL;DR: (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione (CAS 444783-03-3) is a chemical compound with molecular formula C14H14ClNO3S and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-butan-2-yl-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AH-487/41143357, (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione, (5E)-3-butan-2-yl-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione, 3-sec-butyl-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C14H14ClNO3S |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 3.8804 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0383 |
| Heavy Atoms | 20 |
| Complexity | 600.08185 |
Chemical Identifiers
| CAS Number | 444783-03-3 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C\C2=CC(=C(C=C2)O)Cl)/SC1=O |
Product Overview
(5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione (CAS 444783-03-3), with molecular formula C14H14ClNO3S and molecular weight 311.04 g/mol. IUPAC: (5E)-3-butan-2-yl-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
Property Insights of (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
The XLogP value of 3.8804 indicates that (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-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 57.61 Ų, (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione has 1 hydrogen bond donor(s) and 4 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 (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione?
The CAS number of (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione is 444783-03-3.
What is the molecular formula of (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular formula of (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione is C14H14ClNO3S.
What is the molecular weight of (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular weight of (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione is 311.04 g/mol.
Where can I buy (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione?
You can request a quote for (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-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 (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-3-(butan-2-yl)-5-(3-chloro-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.