Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate
TL;DR: Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate (CAS 74122-58-0) is a chemical compound with molecular formula C15H12O6S2 and molecular weight 352.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxo-2-(4,6,6-trioxo-3,5-dihydro-2H-thiopyrano[3,2-c]thiochromen-3-yl)acetate
Also Known As: Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate, methyl 2-oxo-2-(4,6,6-trioxo-3,5-dihydro-2H-thiopyrano[3,2-c]thiochromen-3-yl)acetate, Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano[3,2-c]thiochromen-3-yl)(oxo)acetate, methyl 2-oxo-2-(4,6,6-trioxo-3,5-dihydro-2H-thiopyrano[3,2-c, 3-carbomethoxycarbonyl-4-oxo-3,4-dihydro-2H,5H-thiopyrano<3,2-c><1>benzothiopyran 6,6-dioxide
| Molecular Formula | C15H12O6S2 |
|---|---|
| Molecular Weight | 352.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.00754 |
| Heavy Atoms | 23 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 74122-58-0 |
|---|---|
| SMILES | COC(=O)C(=O)C1CSC2=C(C1=O)CS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | JXVQOHFSFCWZRH-UHFFFAOYSA-N |
Product Overview
Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate (CAS 74122-58-0), with molecular formula C15H12O6S2 and molecular weight 352.01 g/mol. IUPAC: methyl 2-oxo-2-(4,6,6-trioxo-3,5-dihydro-2H-thiopyrano[3,2-c]thiochromen-3-yl)acetate.
Chemical Property Profile of Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate
Property Insights of Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate. Following Lipinski's Rule of Five, Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate 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 Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate?
The CAS number of Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate is 74122-58-0.
What is the molecular formula of Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate?
The molecular formula of Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate is C15H12O6S2.
What is the molecular weight of Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate?
The molecular weight of Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate is 352.01 g/mol.
Where can I buy Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate?
You can request a quote for Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (6,6-dioxido-4-oxo-3,4-dihydro-2H,5H-thiopyrano(3,2-c)thiochromen-3-yl)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.