![(Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/840/840499-81-2.png)
(Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840499-81-2) is a chemical compound with molecular formula C26H21N5O3S and molecular weight 483.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-6-{3-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C26H21N5O3S |
|---|---|
| Molecular Weight | 483.14 g/mol |
| LogP | 4.64509 |
| Topological Polar Surface Area | 100.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.1365 |
| Heavy Atoms | 35 |
| Complexity | 1415.4945 |
Chemical Identifiers
| CAS Number | 840499-81-2 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)OC |
Product Overview
(Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840499-81-2), with molecular formula C26H21N5O3S and molecular weight 483.14 g/mol. IUPAC: (6Z)-5-imino-6-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.64509 indicates that (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-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)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 840499-81-2.
What is the molecular formula of (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C26H21N5O3S.
What is the molecular weight of (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 483.14 g/mol.
Where can I buy (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-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)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-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)-5-imino-6-(3-methoxy-4-((2-methylbenzyl)oxy)benzylidene)-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.