(Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
TL;DR: (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile (CAS 846587-16-4) is a chemical compound with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
Also Known As: (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile, 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C22H22N4O3S2 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 3.60378 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.11334 |
| Heavy Atoms | 31 |
| Complexity | 1050.4535 |
Chemical Identifiers
| CAS Number | 846587-16-4 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C2=C(N=C(O2)/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=CC=C4)C#N |
Product Overview
(Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile (CAS 846587-16-4), with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol. IUPAC: 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
Property Insights of (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
The XLogP value of 3.60378 indicates that (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 8 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 (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The CAS number of (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is 846587-16-4.
What is the molecular formula of (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The molecular formula of (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is C22H22N4O3S2.
What is the molecular weight of (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The molecular weight of (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is 454.11 g/mol.
Where can I buy (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
You can request a quote for (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-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 (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-(2,6-dimethylmorpholino)-2-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.