![(E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/847/847176-76-5.png)
(E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 847176-76-5) is a chemical compound with molecular formula C20H17N5OS and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-5-imino-6-[(4-propan-2-ylphenyl)methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-5-imino-6-[(4-propan-2-ylphenyl)methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-5-imino-6-[4-(propan-2-yl)benzylidene]-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C20H17N5OS |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 3.87247 |
| Topological Polar Surface Area | 81.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.1154 |
| Heavy Atoms | 27 |
| Complexity | 1006.4274 |
Chemical Identifiers
| CAS Number | 847176-76-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4 |
Product Overview
(E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 847176-76-5), with molecular formula C20H17N5OS and molecular weight 375.12 g/mol. IUPAC: (6E)-5-imino-6-[(4-propan-2-ylphenyl)methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 3.87247 indicates that (E)-5-imino-6-(4-isopropylbenzylidene)-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 81.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 5 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-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 847176-76-5.
What is the molecular formula of (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C20H17N5OS.
What is the molecular weight of (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 375.12 g/mol.
Where can I buy (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-5-imino-6-(4-isopropylbenzylidene)-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 (E)-5-imino-6-(4-isopropylbenzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-imino-6-(4-isopropylbenzylidene)-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.