(3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea
TL;DR: (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea (CAS 137577-14-1) is a chemical compound with molecular formula C23H20N4O2S and molecular weight 416.1307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea
Also Known As: 1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea, 2-Benzyl-4-phenyl-5-[(benzylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one, 2-Benzyl-5-benzylcarbamoylimino-4-phenyl-1,2,4-thiadiazolidin-3-one, 1-Benzyl-3-[2-benzyl-3-oxo-4-phenyl-[1,2,4]thiadiazolidin-(5Z)-ylidene]-urea
Technical Specifications
| Molecular Formula | C23H20N4O2S |
| Molecular Weight | 416.1307 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1307 Da |
| Heavy Atoms | 30 |
| Complexity | 623.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)/N=C\2/N(C(=O)N(S2)CC3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | QETMMGBBBSUUIU-LVWGJNHUSA-N |
Chemical Property Profile of (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea
Property Insights of (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea
The XLogP value of 4.5 indicates that (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea. Following Lipinski's Rule of Five, (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea?
The CAS number of (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea is 137577-14-1.
What is the molecular formula of (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea?
The molecular formula of (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea is C23H20N4O2S.
What is the molecular weight of (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea?
The molecular weight of (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea is 416.1307 g/mol.
Where can I buy (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea?
You can request a quote for (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea?
Yes, CoreyChem provides custom synthesis services for (3Z)-1-benzyl-3-(2-benzyl-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.