![(Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/896/896833-87-7.png)
(Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896833-87-7) is a chemical compound with molecular formula C18H14N4O4S and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 3-{(Z)-[5-iminio-7-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-4-oxo-4H-chromen-6-olate
| Molecular Formula | C18H14N4O4S |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 2.77377 |
| Topological Polar Surface Area | 119.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.07358 |
| Heavy Atoms | 27 |
| Complexity | 1159.6511 |
Chemical Identifiers
| CAS Number | 896833-87-7 |
|---|---|
| SMILES | CC(C)C1=NN2C(=N)/C(=C/C3=COC4=C(C3=O)C=C(C=C4)O)/C(=O)N=C2S1 |
Product Overview
(Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896833-87-7), with molecular formula C18H14N4O4S and molecular weight 382.07 g/mol. IUPAC: (6Z)-6-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 2.77377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. The TPSA of 119.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 2 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 (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 896833-87-7.
What is the molecular formula of (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C18H14N4O4S.
What is the molecular weight of (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 382.07 g/mol.
Where can I buy (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-5-imino-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.