(E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
TL;DR: (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile (CAS 848680-78-4) is a chemical compound with molecular formula C22H22N4O2S2 and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzylpiperidin-1-yl)-2-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
Also Known As: (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile, 5-(4-benzylpiperidin-1-yl)-2-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile, 5-(4-benzylpiperidin-1-yl)-2-[(E)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile, 5-(4-BENZYLPIPERIDIN-1-YL)-2-{[(5E)-3-ETHYL-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-1,3-OXAZOLE-4-CARBONITRILE
| Molecular Formula | C22H22N4O2S2 |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 4.22648 |
| Topological Polar Surface Area | 73.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.1184 |
| Heavy Atoms | 30 |
| Complexity | 1017.50366 |
Chemical Identifiers
| CAS Number | 848680-78-4 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=NC(=C(O2)N3CCC(CC3)CC4=CC=CC=C4)C#N)/SC1=S |
Product Overview
(E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile (CAS 848680-78-4), with molecular formula C22H22N4O2S2 and molecular weight 438.12 g/mol. IUPAC: 5-(4-benzylpiperidin-1-yl)-2-[(E)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
Property Insights of (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
The XLogP value of 4.22648 indicates that (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.37 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile has 0 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 (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The CAS number of (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is 848680-78-4.
What is the molecular formula of (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The molecular formula of (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is C22H22N4O2S2.
What is the molecular weight of (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The molecular weight of (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is 438.12 g/mol.
Where can I buy (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
You can request a quote for (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-benzylpiperidin-1-yl)-2-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.