![(E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/896/896823-99-7.png)
(E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896823-99-7) is a chemical compound with molecular formula C20H17N5O2S and molecular weight 391.11 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-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[(4-dimethylaminophenyl)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-(dimethylamino)benzylidene]-5-iminio-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}phenolate
| Molecular Formula | C20H17N5O2S |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 0.27997 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.1103 |
| Heavy Atoms | 28 |
| Complexity | 1318.8348 |
Chemical Identifiers
| CAS Number | 896823-99-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=C4C=CC(=O)C=C4)N3 |
Product Overview
(E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896823-99-7), with molecular formula C20H17N5O2S and molecular weight 391.11 g/mol. IUPAC: (6E)-6-[[4-(dimethylamino)phenyl]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-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 0.27997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(4-(dimethylamino)benzylidene)-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-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 2 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)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 896823-99-7.
What is the molecular formula of (E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C20H17N5O2S.
What is the molecular weight of (E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-6-(4-(dimethylamino)benzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 391.11 g/mol.
Where can I buy (E)-6-(4-(dimethylamino)benzylidene)-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-(dimethylamino)benzylidene)-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-(dimethylamino)benzylidene)-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-(dimethylamino)benzylidene)-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.