(E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile
TL;DR: (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile (CAS 847181-88-8) is a chemical compound with molecular formula C17H14N4O4S2 and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
Also Known As: (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile, 2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile, 2-{(E)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile, 2-{[(5E)-3-[(FURAN-2-YL)METHYL]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-5-(MORPHOLIN-4-YL)-1,3-OXAZOLE-4-CARBONITRILE
| Molecular Formula | C17H14N4O4S2 |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 2.37728 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.04565 |
| Heavy Atoms | 27 |
| Complexity | 938.78986 |
Chemical Identifiers
| CAS Number | 847181-88-8 |
|---|---|
| SMILES | C1COCCN1C2=C(N=C(O2)/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4)C#N |
Product Overview
(E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile (CAS 847181-88-8), with molecular formula C17H14N4O4S2 and molecular weight 402.05 g/mol. IUPAC: 2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile
Property Insights of (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile
The XLogP value of 2.37728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile. Following Lipinski's Rule of Five, (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 9 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)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile?
The CAS number of (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile is 847181-88-8.
What is the molecular formula of (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile?
The molecular formula of (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile is C17H14N4O4S2.
What is the molecular weight of (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile?
The molecular weight of (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile is 402.05 g/mol.
Where can I buy (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile?
You can request a quote for (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-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)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.