![(E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/896/896856-79-4.png)
(E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896856-79-4) is a chemical compound with molecular formula C19H16N6OS and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[(4-dimethylaminophenyl)methylidene]-5-imino-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-[4-(dimethylamino)benzylidene]-5-imino-2-(pyridin-4-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C19H16N6OS |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 2.81507 |
| Topological Polar Surface Area | 85.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.11063 |
| Heavy Atoms | 27 |
| Complexity | 1008.2552 |
Chemical Identifiers
| CAS Number | 896856-79-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)C4=CC=NC=C4 |
Product Overview
(E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896856-79-4), with molecular formula C19H16N6OS and molecular weight 376.11 g/mol. IUPAC: (6E)-6-[[4-(dimethylamino)phenyl]methylidene]-5-imino-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 2.81507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. The TPSA of 85.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 6 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-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 896856-79-4.
What is the molecular formula of (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C19H16N6OS.
What is the molecular weight of (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 376.11 g/mol.
Where can I buy (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-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-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-(4-(dimethylamino)benzylidene)-5-imino-2-(pyridin-4-yl)-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.