Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate
TL;DR: Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate (CAS 1024679-42-2) is a chemical compound with molecular formula C15H16N2O3S2 and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylideneamino]benzoate
Also Known As: ETHYL 3-(((4-ETHYL-5-OXO-3-THIOXO-2,4-THIAZOLIDINYLIDENE)METHYL)AMINO)BENZOATE, ethyl 3-[(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylideneamino]benzoate, Ethyl 3-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methylamino]benzoate, ethyl 3-({[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}amino)benzoate, ethyl 3-[(3-ethyl-4-hydroxy-2-thioxo-thiazol-5-yl)methyleneamino]benzoate
| Molecular Formula | C15H16N2O3S2 |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 3.93189 |
| Topological Polar Surface Area | 63.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.06024 |
| Heavy Atoms | 22 |
| Complexity | 762.3883 |
Chemical Identifiers
| CAS Number | 1024679-42-2 |
|---|---|
| SMILES | CCN1C(=C(SC1=S)C=NC2=CC=CC(=C2)C(=O)OCC)O |
Product Overview
Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate (CAS 1024679-42-2), with molecular formula C15H16N2O3S2 and molecular weight 336.06 g/mol. IUPAC: ethyl 3-[(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylideneamino]benzoate.
Chemical Property Profile of Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate
Property Insights of Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate
The XLogP value of 3.93189 indicates that Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate. Following Lipinski's Rule of Five, Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate 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 Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate?
The CAS number of Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate is 1024679-42-2.
What is the molecular formula of Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate?
The molecular formula of Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate is C15H16N2O3S2.
What is the molecular weight of Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate?
The molecular weight of Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate is 336.06 g/mol.
Where can I buy Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate?
You can request a quote for Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(((4-ethyl-5-oxo-3-thioxo-2,4-thiazolidinylidene)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.