![(E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/848/848741-63-9.png)
(E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 848741-63-9) is a chemical compound with molecular formula C25H26N6O3S and molecular weight 490.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C25H26N6O3S |
|---|---|
| Molecular Weight | 490.18 g/mol |
| LogP | 3.27063 |
| Topological Polar Surface Area | 103.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.1787 |
| Heavy Atoms | 35 |
| Complexity | 1315.4121 |
Chemical Identifiers
| CAS Number | 848741-63-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCOCC5)C |
Product Overview
(E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 848741-63-9), with molecular formula C25H26N6O3S and molecular weight 490.18 g/mol. IUPAC: (6E)-6-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 3.27063 indicates that (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-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 103.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-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 (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 848741-63-9.
What is the molecular formula of (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C25H26N6O3S.
What is the molecular weight of (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 490.18 g/mol.
Where can I buy (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-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)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(2-morpholino-2-oxoethyl)-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.