4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid
TL;DR: 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid (CAS 638136-66-0) is a chemical compound with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 4-[[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 4-{[(2E,5Z)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-4-OXO-3-(PROP-2-EN-1-YL)-1,3-THIAZOLIDIN-2-YLIDENE]AMINO}BENZOIC ACID, 4-({5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-y lidene}azamethyl)benzoic acid, p-[(E)-(Z)-3-allyl-5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-1,3-thiazolidin-2-ylideneamino]benzoic acid
| Molecular Formula | C22H20N2O5S |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 4.192 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.10928 |
| Heavy Atoms | 30 |
| Complexity | 1043.9934 |
Chemical Identifiers
| CAS Number | 638136-66-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)CC=C)OC |
Product Overview
4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid (CAS 638136-66-0), with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol. IUPAC: 4-[[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid
Property Insights of 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid
The XLogP value of 4.192 indicates that 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid has 1 hydrogen bond donor(s) and 6 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 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The CAS number of 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is 638136-66-0.
What is the molecular formula of 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The molecular formula of 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is C22H20N2O5S.
What is the molecular weight of 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The molecular weight of 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is 424.11 g/mol.
Where can I buy 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
You can request a quote for 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((E)-((Z)-3-allyl-5-(3,4-dimethoxybenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.