![3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid structure](/static/products/4967/496774-10-8.webp)
3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid
TL;DR: 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid (CAS 496774-10-8) is a chemical compound with molecular formula C25H19NO5S and molecular weight 445.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5E)-2,4-dioxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]methyl]benzoic acid
Also Known As: 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid, (E)-3-((5-(4-(benzyloxy)benzylidene)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid, 3-[(2,4-dioxo-5-{[4-(phenylmethoxy)phenyl]methylene}-1,3-thiazolidin-3-yl)meth yl]benzoic acid, 3-[[(5E)-2,4-dioxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]methyl]benzoic acid
| Molecular Formula | C25H19NO5S |
|---|---|
| Molecular Weight | 445.10 g/mol |
| LogP | 5.2003 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.0984 |
| Heavy Atoms | 32 |
| Complexity | 1188.4689 |
Chemical Identifiers
| CAS Number | 496774-10-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/3\C(=O)N(C(=O)S3)CC4=CC(=CC=C4)C(=O)O |
Product Overview
3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid (CAS 496774-10-8), with molecular formula C25H19NO5S and molecular weight 445.10 g/mol. IUPAC: 3-[[(5E)-2,4-dioxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]methyl]benzoic acid.
Chemical Property Profile of 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid
Property Insights of 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid
The XLogP value of 5.2003 indicates that 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid. Following Lipinski's Rule of Five, 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid?
The CAS number of 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid is 496774-10-8.
What is the molecular formula of 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid?
The molecular formula of 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid is C25H19NO5S.
What is the molecular weight of 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid?
The molecular weight of 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid is 445.10 g/mol.
Where can I buy 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid?
You can request a quote for 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({(5E)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.