![(E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/846/846584-69-8.png)
(E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 846584-69-8) is a chemical compound with molecular formula C19H15N5O4S and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, 4-{(E)-[5-iminio-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2,6-dimethoxyphenolate, 5-amino-6-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C19H15N5O4S |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 1.8219 |
| Topological Polar Surface Area | 121.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.08447 |
| Heavy Atoms | 29 |
| Complexity | 1244.9867 |
Chemical Identifiers
| CAS Number | 846584-69-8 |
|---|---|
| SMILES | COC1=CC(=CC2=C(N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)N)C=C(C1=O)OC |
Product Overview
(E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 846584-69-8), with molecular formula C19H15N5O4S and molecular weight 409.08 g/mol. IUPAC: 5-amino-6-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 1.8219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. The TPSA of 121.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 9 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-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 846584-69-8.
What is the molecular formula of (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C19H15N5O4S.
What is the molecular weight of (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 409.08 g/mol.
Where can I buy (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-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-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(pyridin-3-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.