![diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate structure](/static/products/1005/1005089-81-5.webp)
diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate
TL;DR: diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate (CAS 1005089-81-5) is a chemical compound with molecular formula C18H18N2O8S2 and molecular weight 454.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Also Known As: diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate, diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate, F1421-0060, 5,6-diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate, ethyl 6-(ethoxycarbonyl)-7-(2-hydroxy-5-nitrophenyl)-2-oxo-3H,5H,6H,7H-thiino[ 6,5-d]1,3-thiazoline-5-carboxylate
| Molecular Formula | C18H18N2O8S2 |
|---|---|
| Molecular Weight | 454.05 g/mol |
| LogP | 2.3988 |
| Topological Polar Surface Area | 148.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.05045 |
| Heavy Atoms | 30 |
| Complexity | 1047.0476 |
Chemical Identifiers
| CAS Number | 1005089-81-5 |
|---|---|
| SMILES | CCOC(=O)C1C(C2=C(NC(=O)S2)SC1C(=O)OCC)C3=C(C=CC(=C3)[N+](=O)[O-])O |
Product Overview
diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate (CAS 1005089-81-5), with molecular formula C18H18N2O8S2 and molecular weight 454.05 g/mol. IUPAC: diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate.
Chemical Property Profile of diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate
Property Insights of diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate
The XLogP value of 2.3988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate. The TPSA of 148.83 Ų indicates high polarity, suggesting diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate has 2 hydrogen bond donor(s) and 10 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 diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate?
The CAS number of diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate is 1005089-81-5.
What is the molecular formula of diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate?
The molecular formula of diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate is C18H18N2O8S2.
What is the molecular weight of diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate?
The molecular weight of diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate is 454.05 g/mol.
Where can I buy diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate?
You can request a quote for diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 7-(2-hydroxy-5-nitrophenyl)-2-oxo-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.