Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate
TL;DR: Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate (CAS 488804-77-9) is a chemical compound with molecular formula C21H19N3O5S2 and molecular weight 457.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetyl]carbamothioylamino]benzoate
Also Known As: ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate, F1463-0345, AT-057/41290448, ethyl 4-[[2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetyl]carbamothioylamino]benzoate, ETHYL 4-({[2-(2,4-DIOXO-3-PHENYL-1,3-THIAZOLIDIN-5-YL)ACETAMIDO]METHANETHIOYL}AMINO)BENZOATE
| Molecular Formula | C21H19N3O5S2 |
|---|---|
| Molecular Weight | 457.08 g/mol |
| LogP | 3.335 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0766 |
| Heavy Atoms | 31 |
| Complexity | 1011.43506 |
Chemical Identifiers
| CAS Number | 488804-77-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3 |
Product Overview
Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate (CAS 488804-77-9), with molecular formula C21H19N3O5S2 and molecular weight 457.08 g/mol. IUPAC: ethyl 4-[[2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetyl]carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate
Property Insights of Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate
The XLogP value of 3.335 indicates that Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate has 2 hydrogen bond donor(s) and 7 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 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate?
The CAS number of Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate is 488804-77-9.
What is the molecular formula of Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate?
The molecular formula of Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate is C21H19N3O5S2.
What is the molecular weight of Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate?
The molecular weight of Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate is 457.08 g/mol.
Where can I buy Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate?
You can request a quote for Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-(2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetyl)thioureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.