![(E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/896/896818-60-3.png)
(E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896818-60-3) is a chemical compound with molecular formula C21H12N4O4S and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-5-imino-6-[(4-oxochromen-3-yl)methylidene]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-5-imino-6-[(4-oxochromen-3-yl)methylidene]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 4-{(6E)-5-iminio-7-oxo-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}phenolate
| Molecular Formula | C21H12N4O4S |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 0.32037 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 416.05792 |
| Heavy Atoms | 30 |
| Complexity | 1662.7089 |
Chemical Identifiers
| CAS Number | 896818-60-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)/C=C/3\C(=N)N4C(=NC3=O)SC(=C5C=CC(=O)C=C5)N4 |
Product Overview
(E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896818-60-3), with molecular formula C21H12N4O4S and molecular weight 416.06 g/mol. IUPAC: (6E)-5-imino-6-[(4-oxochromen-3-yl)methylidene]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 0.32037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. The TPSA of 121.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-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 (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 896818-60-3.
What is the molecular formula of (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C21H12N4O4S.
What is the molecular weight of (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 416.06 g/mol.
Where can I buy (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-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 (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-hydroxyphenyl)-5-imino-6-((4-oxo-4H-chromen-3-yl)methylene)-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.