![(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](/static/products/116/1164555-47-8.png)
(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
TL;DR: (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 1164555-47-8) is a chemical compound with molecular formula C16H10N4O4S2 and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (E)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-3-(methylthio)-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one, 6-[1-(6-Hydroxy-4-oxo-4H-chromen-3-yl)-meth-(E)-ylidene]-5-imino-3-methylsulfanyl-5,6-dihydro-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (6E)-5-azanylidene-3-methylsulfanyl-6-[(6-oxidanyl-4-oxidanylidene-chromen-3-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (6E)-6-[(6-hydroxy-4-keto-chromen-3-yl)methylene]-5-imino-3-(methylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
| Molecular Formula | C16H10N4O4S2 |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | 2.43827 |
| Topological Polar Surface Area | 119.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.01434 |
| Heavy Atoms | 26 |
| Complexity | 1132.7612 |
Chemical Identifiers
| CAS Number | 1164555-47-8 |
|---|---|
| SMILES | CSC1=NSC2=NC(=O)/C(=C/C3=COC4=C(C3=O)C=C(C=C4)O)/C(=N)N21 |
Product Overview
(6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 1164555-47-8), with molecular formula C16H10N4O4S2 and molecular weight 386.01 g/mol. IUPAC: (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Property Insights of (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
The XLogP value of 2.43827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one. The TPSA of 119.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one has 2 hydrogen bond donor(s) and 8 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 (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The CAS number of (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 1164555-47-8.
What is the molecular formula of (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular formula of (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is C16H10N4O4S2.
What is the molecular weight of (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular weight of (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 386.01 g/mol.
Where can I buy (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
You can request a quote for (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.