![(E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/843/843628-77-3.png)
(E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 843628-77-3) is a chemical compound with molecular formula C21H23N5O5S and molecular weight 457.14 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-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, 4-[(E)-{5-iminio-7-oxo-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]-2,6-dimethoxyphenolate, 5,6-Dihydro-6-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-5-imino-2-[2-oxo-2-(1-piperidinyl)ethyl]-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one, 5-amino-6-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C21H23N5O5S |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 1.3149 |
| Topological Polar Surface Area | 129.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.142 |
| Heavy Atoms | 32 |
| Complexity | 1207.1665 |
Chemical Identifiers
| CAS Number | 843628-77-3 |
|---|---|
| SMILES | COC1=CC(=CC2=C(N3C(=NC2=O)SC(=N3)CC(=O)N4CCCCC4)N)C=C(C1=O)OC |
Product Overview
(E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 843628-77-3), with molecular formula C21H23N5O5S and molecular weight 457.14 g/mol. IUPAC: 5-amino-6-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-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-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 1.3149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. The TPSA of 129.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-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-(2-oxo-2-(piperidin-1-yl)ethyl)-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-(2-oxo-2-(piperidin-1-yl)ethyl)-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-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 843628-77-3.
What is the molecular formula of (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-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-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C21H23N5O5S.
What is the molecular weight of (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-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-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 457.14 g/mol.
Where can I buy (E)-6-(4-hydroxy-3,5-dimethoxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-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-(2-oxo-2-(piperidin-1-yl)ethyl)-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-(2-oxo-2-(piperidin-1-yl)ethyl)-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-(2-oxo-2-(piperidin-1-yl)ethyl)-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.