![Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate structure](/static/products/5530/5530-37-0.webp)
Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate
TL;DR: Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate (CAS 5530-37-0) is a chemical compound with molecular formula C16H16INO4S and molecular weight 444.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: TERT-BUTYL 2-[5-[(2-IODOPHENYL)METHYLIDENE]-2,4-DIOXO-THIAZOLIDIN-3-YL]ACETATE, Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, tert-Butyl {5-[(2-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
| Molecular Formula | C16H16INO4S |
|---|---|
| Molecular Weight | 444.98 g/mol |
| LogP | 3.6692 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.98447 |
| Heavy Atoms | 23 |
| Complexity | 693.5658 |
Chemical Identifiers
| CAS Number | 5530-37-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CN1C(=O)C(=CC2=CC=CC=C2I)SC1=O |
Product Overview
Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate (CAS 5530-37-0), with molecular formula C16H16INO4S and molecular weight 444.98 g/mol. IUPAC: tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate
Property Insights of Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate
The XLogP value of 3.6692 indicates that Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate. Following Lipinski's Rule of Five, Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate 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 Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate?
The CAS number of Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate is 5530-37-0.
What is the molecular formula of Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate?
The molecular formula of Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate is C16H16INO4S.
What is the molecular weight of Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate?
The molecular weight of Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate is 444.98 g/mol.
Where can I buy Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate?
You can request a quote for Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-[5-[(2-iodophenyl)methylidene]-2,4-dioxo-thiazolidin-3-YL]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.