![(Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/840/840478-98-0.png)
(Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840478-98-0) is a chemical compound with molecular formula C25H17ClFN5O3S and molecular weight 521.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C25H17ClFN5O3S |
|---|---|
| Molecular Weight | 521.07 g/mol |
| LogP | 5.12917 |
| Topological Polar Surface Area | 100.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.07245 |
| Heavy Atoms | 36 |
| Complexity | 1475.7714 |
Chemical Identifiers
| CAS Number | 840478-98-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)Cl)OCC5=CC=CC=C5F |
Product Overview
(Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840478-98-0), with molecular formula C25H17ClFN5O3S and molecular weight 521.07 g/mol. IUPAC: (6Z)-6-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.12917 indicates that (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-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 100.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-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 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-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 840478-98-0.
What is the molecular formula of (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C25H17ClFN5O3S.
What is the molecular weight of (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 521.07 g/mol.
Where can I buy (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-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 (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-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 (Z)-6-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)-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.