![dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate structure](/static/products/501/501108-07-2.png)
dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
TL;DR: dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate (CAS 501108-07-2) is a chemical compound with molecular formula C16H12N2O7S2 and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Also Known As: dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate, 5,6-DIMETHYL 7-(3-NITROPHENYL)-2-OXO-2H,3H,7H-THIOPYRANO[2,3-D][1,3]THIAZOLE-5,6-DICARBOXYLATE, Dimethyl 2-(3-nitrophenyl)-8-oxo-5,9-dithia-7-azabicyclo[4.3.0]nona-3,10-diene-3,4-dicarboxylate, dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d]thiazole-5,6-dicarboxylate, dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
| Molecular Formula | C16H12N2O7S2 |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 2.1823 |
| Topological Polar Surface Area | 128.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.0086 |
| Heavy Atoms | 27 |
| Complexity | 1037.3849 |
Chemical Identifiers
| CAS Number | 501108-07-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])SC(=O)N2)C(=O)OC |
Product Overview
dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate (CAS 501108-07-2), with molecular formula C16H12N2O7S2 and molecular weight 408.01 g/mol. IUPAC: dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydrothiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate.
Chemical Property Profile of dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Property Insights of dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
The XLogP value of 2.1823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate. The TPSA of 128.6 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate has 1 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 dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate?
The CAS number of dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate is 501108-07-2.
What is the molecular formula of dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate?
The molecular formula of dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate is C16H12N2O7S2.
What is the molecular weight of dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate?
The molecular weight of dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate is 408.01 g/mol.
Where can I buy dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate?
You can request a quote for dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-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 dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 7-(3-nitrophenyl)-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.