![2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile structure](/static/products/5533/5533-46-0.webp)
2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile
TL;DR: 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile (CAS 5533-46-0) is a chemical compound with molecular formula C25H22FN3O2S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile
Also Known As: 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile
| Molecular Formula | C25H22FN3O2S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 2.61278 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.14166 |
| Heavy Atoms | 32 |
| Complexity | 1346.3043 |
Chemical Identifiers
| CAS Number | 5533-46-0 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)C(=C2N(C(=O)C(=CC3=CC(=CC=C3)F)S2)CC4=CC=CC=C4)C#N |
Product Overview
2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile (CAS 5533-46-0), with molecular formula C25H22FN3O2S and molecular weight 447.14 g/mol. IUPAC: 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile.
Chemical Property Profile of 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile
Property Insights of 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile
The XLogP value of 2.61278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile. Following Lipinski's Rule of Five, 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile has 0 hydrogen bond donor(s) and 4 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 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile?
The CAS number of 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile is 5533-46-0.
What is the molecular formula of 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile?
The molecular formula of 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile is C25H22FN3O2S.
What is the molecular weight of 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile?
The molecular weight of 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile is 447.14 g/mol.
Where can I buy 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile?
You can request a quote for 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.