![5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate structure](/static/products/1005/1005116-31-3.webp)
5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
TL;DR: 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate (CAS 1005116-31-3) is a chemical compound with molecular formula C18H18ClNO5S2 and molecular weight 427.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 7-(4-chlorophenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Also Known As: 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate, diethyl 7-(4-chlorophenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate, ethyl 7-(4-chlorophenyl)-5-(ethoxycarbonyl)-2-oxo-3H,5H,6H,7H-thiino[6,5-d]1,3 -thiazoline-6-carboxylate
| Molecular Formula | C18H18ClNO5S2 |
|---|---|
| Molecular Weight | 427.03 g/mol |
| LogP | 3.4384 |
| Topological Polar Surface Area | 85.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.0315 |
| Heavy Atoms | 27 |
| Complexity | 891.9021 |
Chemical Identifiers
| CAS Number | 1005116-31-3 |
|---|---|
| SMILES | CCOC(=O)C1C(C2=C(NC(=O)S2)SC1C(=O)OCC)C3=CC=C(C=C3)Cl |
Product Overview
5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate (CAS 1005116-31-3), with molecular formula C18H18ClNO5S2 and molecular weight 427.03 g/mol. IUPAC: diethyl 7-(4-chlorophenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate.
Chemical Property Profile of 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Property Insights of 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
The XLogP value of 3.4384 indicates that 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate. Following Lipinski's Rule of Five, 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate has 1 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 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate?
The CAS number of 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate is 1005116-31-3.
What is the molecular formula of 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate?
The molecular formula of 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate is C18H18ClNO5S2.
What is the molecular weight of 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate?
The molecular weight of 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate is 427.03 g/mol.
Where can I buy 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate?
You can request a quote for 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]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 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5,6-diethyl 7-(4-chlorophenyl)-2-oxo-2H,3H,5H,6H,7H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.