5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione
TL;DR: 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione (CAS 127378-46-5) is a chemical compound with molecular formula C18H23NO3S and molecular weight 333.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: 5-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2,4-thiazolidinedione, 5-(3,5-di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione, 5-[(3,5-Di-tert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione, 5-{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]} methylene-2, 4-thiazolidinedione, 5-{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]} methylene-2,4-thiazolidinedione
| Molecular Formula | C18H23NO3S |
|---|---|
| Molecular Weight | 333.14 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.13986 |
| Heavy Atoms | 23 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 127378-46-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)NC(=O)S2 |
| InChIKey | VMWQYEAAXYPFCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione (CAS 127378-46-5), with molecular formula C18H23NO3S and molecular weight 333.14 g/mol. IUPAC: 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione
Property Insights of 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione
The XLogP value of 5.2 indicates that 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione. Following Lipinski's Rule of Five, 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione?
The CAS number of 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione is 127378-46-5.
What is the molecular formula of 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione?
The molecular formula of 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione is C18H23NO3S.
What is the molecular weight of 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione?
The molecular weight of 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione is 333.14 g/mol.
Where can I buy 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione?
You can request a quote for 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)methylene-2,4-thiazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.