![(E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/877/877786-02-2.png)
(E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 877786-02-2) is a chemical compound with molecular formula C20H24N4O4S and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-5-imino-2-pentan-3-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-5-imino-2-pentan-3-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C20H24N4O4S |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 3.76777 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.15182 |
| Heavy Atoms | 29 |
| Complexity | 909.40405 |
Chemical Identifiers
| CAS Number | 877786-02-2 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)N=C2S1 |
Product Overview
(E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 877786-02-2), with molecular formula C20H24N4O4S and molecular weight 416.15 g/mol. IUPAC: (6E)-5-imino-2-pentan-3-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 3.76777 indicates that (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-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 96.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-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 (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 877786-02-2.
What is the molecular formula of (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C20H24N4O4S.
What is the molecular weight of (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 416.15 g/mol.
Where can I buy (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-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)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-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.