![(Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/840/840510-53-4.png)
(Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840510-53-4) is a chemical compound with molecular formula C28H29N5O4S and molecular weight 531.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{3-ethoxy-4-[(2-methylbenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C28H29N5O4S |
|---|---|
| Molecular Weight | 531.19 g/mol |
| LogP | 4.60439 |
| Topological Polar Surface Area | 107.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.19403 |
| Heavy Atoms | 38 |
| Complexity | 1377.049 |
Chemical Identifiers
| CAS Number | 840510-53-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCC4)OCC5=CC=CC=C5C |
Product Overview
(Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840510-53-4), with molecular formula C28H29N5O4S and molecular weight 531.19 g/mol. IUPAC: (6Z)-6-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.60439 indicates that (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 840510-53-4.
What is the molecular formula of (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C28H29N5O4S.
What is the molecular weight of (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 531.19 g/mol.
Where can I buy (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-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 (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-(3-ethoxy-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-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.