![(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/714/714938-39-3.png)
(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 714938-39-3) is a chemical compound with molecular formula C22H18N6O6S and molecular weight 494.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-5-imino-2-(2-morpholino-2-oxoethyl)-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C22H18N6O6S |
|---|---|
| Molecular Weight | 494.10 g/mol |
| LogP | 2.72287 |
| Topological Polar Surface Area | 154.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.10086 |
| Heavy Atoms | 35 |
| Complexity | 1322.1559 |
Chemical Identifiers
| CAS Number | 714938-39-3 |
|---|---|
| SMILES | C1COCCN1C(=O)CC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])/C(=O)N=C3S2 |
Product Overview
(6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 714938-39-3), with molecular formula C22H18N6O6S and molecular weight 494.10 g/mol. IUPAC: (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 2.72287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. The TPSA of 154.7 Ų indicates high polarity, suggesting (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 9 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 (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 714938-39-3.
What is the molecular formula of (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C22H18N6O6S.
What is the molecular weight of (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 494.10 g/mol.
Where can I buy (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[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 (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.