![1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea structure](/static/products/137/137577-11-8.webp)
1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea
TL;DR: 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea (CAS 137577-11-8) is a chemical compound with molecular formula C22H17N5O4S and molecular weight 447.10013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-1-benzyl-3-[2-(4-nitrophenyl)-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene]urea
Also Known As: 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea, 1-benzyl-3-[2-(4-nitrophenyl)-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene]urea, 2-(4-Nitrophenyl)-4-phenyl-5-[(benzylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one, 5-Benzylcarbamoylimino-2-(p-nitrophenyl)-4-phenyl-1,2,4-thiadiazolidin-3-one
Technical Specifications
| Molecular Formula | C22H17N5O4S |
| Molecular Weight | 447.10013 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.10013 Da |
| Heavy Atoms | 32 |
| Complexity | 722.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)/N=C\2/N(C(=O)N(S2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
| InChIKey | PJGFRGVMWSOTCC-FLFQWRMESA-N |
Chemical Property Profile of 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea
Property Insights of 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea
The XLogP value of 4.4 indicates that 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea. Following Lipinski's Rule of Five, 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea?
The CAS number of 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea is 137577-11-8.
What is the molecular formula of 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea?
The molecular formula of 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea is C22H17N5O4S.
What is the molecular weight of 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea?
The molecular weight of 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea is 447.10013 g/mol.
Where can I buy 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea?
You can request a quote for 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-3-[2-(4-nitro-phenyl)-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.