![(E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/896/896817-94-0.png)
(E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896817-94-0) is a chemical compound with molecular formula C18H11FN4O2S and molecular weight 366.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[(4-fluorophenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[(4-fluorophenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 4-[(6E)-6-(4-fluorobenzylidene)-5-iminio-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenolate
| Molecular Formula | C18H11FN4O2S |
|---|---|
| Molecular Weight | 366.06 g/mol |
| LogP | 0.35307 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 366.0587 |
| Heavy Atoms | 26 |
| Complexity | 1274.5818 |
Chemical Identifiers
| CAS Number | 896817-94-0 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=C2NN3C(=N)/C(=C\C4=CC=C(C=C4)F)/C(=O)N=C3S2 |
Product Overview
(E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896817-94-0), with molecular formula C18H11FN4O2S and molecular weight 366.06 g/mol. IUPAC: (6E)-6-[(4-fluorophenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 0.35307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 2 hydrogen bond donor(s) and 5 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)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 896817-94-0.
What is the molecular formula of (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C18H11FN4O2S.
What is the molecular weight of (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 366.06 g/mol.
Where can I buy (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-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)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-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.