(E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
TL;DR: (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile (CAS 846579-79-1) is a chemical compound with molecular formula C15H16N4O2S2 and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepan-1-yl)-2-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
Also Known As: (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile, 5-(azepan-1-yl)-2-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile, 5-(azepan-1-yl)-2-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile, 5-(AZEPAN-1-YL)-2-{[(5E)-3-METHYL-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-1,3-OXAZOLE-4-CARBONITRILE
| Molecular Formula | C15H16N4O2S2 |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 2.75768 |
| Topological Polar Surface Area | 73.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.07147 |
| Heavy Atoms | 23 |
| Complexity | 711.5494 |
Chemical Identifiers
| CAS Number | 846579-79-1 |
|---|---|
| SMILES | CN1C(=O)/C(=C\C2=NC(=C(O2)N3CCCCCC3)C#N)/SC1=S |
Product Overview
(E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile (CAS 846579-79-1), with molecular formula C15H16N4O2S2 and molecular weight 348.07 g/mol. IUPAC: 5-(azepan-1-yl)-2-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
Property Insights of (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
The XLogP value of 2.75768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile. The TPSA of 73.37 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, (E)-5-(azepan-1-yl)-2-((3-methyl-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-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The CAS number of (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is 846579-79-1.
What is the molecular formula of (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The molecular formula of (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is C15H16N4O2S2.
What is the molecular weight of (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The molecular weight of (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is 348.07 g/mol.
Where can I buy (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
You can request a quote for (E)-5-(azepan-1-yl)-2-((3-methyl-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-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(azepan-1-yl)-2-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.