![(6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/896/896849-03-9.png)
(6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 896849-03-9) is a chemical compound with molecular formula C15H9N5OS2 and molecular weight 339.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (E)-5-imino-2-(pyridin-4-yl)-6-(thiophen-2-ylmethylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C15H9N5OS2 |
|---|---|
| Molecular Weight | 339.02 g/mol |
| LogP | 2.81057 |
| Topological Polar Surface Area | 81.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.02484 |
| Heavy Atoms | 23 |
| Complexity | 883.8558 |
Chemical Identifiers
| CAS Number | 896849-03-9 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)C4=CC=NC=C4 |
Product Overview
(6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 896849-03-9), with molecular formula C15H9N5OS2 and molecular weight 339.02 g/mol. IUPAC: (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 2.81057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. The TPSA of 81.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 6 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 (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 896849-03-9.
What is the molecular formula of (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C15H9N5OS2.
What is the molecular weight of (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 339.02 g/mol.
Where can I buy (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-5-imino-2-pyridin-4-yl-6-(thiophen-2-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.