![(Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/672/672933-79-8.png)
(Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 672933-79-8) is a chemical compound with molecular formula C22H18N6O5S and molecular weight 478.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-5-imino-6-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-6-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H18N6O5S |
|---|---|
| Molecular Weight | 478.11 g/mol |
| LogP | 3.48647 |
| Topological Polar Surface Area | 145.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.10593 |
| Heavy Atoms | 34 |
| Complexity | 1320.5424 |
Chemical Identifiers
| CAS Number | 672933-79-8 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])/C(=O)N=C3S2 |
Product Overview
(Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 672933-79-8), with molecular formula C22H18N6O5S and molecular weight 478.11 g/mol. IUPAC: (6Z)-5-imino-6-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 3.48647 indicates that (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-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 145.47 Ų indicates high polarity, suggesting (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 8 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-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 672933-79-8.
What is the molecular formula of (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C22H18N6O5S.
What is the molecular weight of (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 478.11 g/mol.
Where can I buy (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-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-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-imino-6-((5-(3-nitrophenyl)furan-2-yl)methylene)-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-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.