(E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid
TL;DR: (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid (CAS 500203-18-9) is a chemical compound with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid, AS-871/42057300, F1421-0080, 4-{[(2E)-4-OXO-5-[(PHENYLCARBAMOYL)METHYL]-3-(PROP-2-EN-1-YL)-1,3-THIAZOLIDIN-2-YLIDENE]AMINO}BENZOIC ACID, 4-[[5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C21H19N3O4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 3.5311 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.10962 |
| Heavy Atoms | 29 |
| Complexity | 957.6513 |
Chemical Identifiers
| CAS Number | 500203-18-9 |
|---|---|
| SMILES | C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC(=O)NC3=CC=CC=C3 |
Product Overview
(E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid (CAS 500203-18-9), with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol. IUPAC: 4-[[5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid
Property Insights of (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid
The XLogP value of 3.5311 indicates that (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid. Following Lipinski's Rule of Five, (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid has 2 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 (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid?
The CAS number of (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid is 500203-18-9.
What is the molecular formula of (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid?
The molecular formula of (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid is C21H19N3O4S.
What is the molecular weight of (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid?
The molecular weight of (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid is 409.11 g/mol.
Where can I buy (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid?
You can request a quote for (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-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 (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-allyl-4-oxo-5-(2-oxo-2-(phenylamino)ethyl)thiazolidin-2-ylidene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.