![(Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/449/449772-55-8.png)
(Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 449772-55-8) is a chemical compound with molecular formula C24H17N5O5S and molecular weight 487.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C24H17N5O5S |
|---|---|
| Molecular Weight | 487.10 g/mol |
| LogP | 4.86139 |
| Topological Polar Surface Area | 134.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.09503 |
| Heavy Atoms | 35 |
| Complexity | 1454.9427 |
Chemical Identifiers
| CAS Number | 449772-55-8 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])/C(=O)N=C3S2 |
Product Overview
(Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 449772-55-8), with molecular formula C24H17N5O5S and molecular weight 487.10 g/mol. IUPAC: (6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.86139 indicates that (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-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 134.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-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-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 449772-55-8.
What is the molecular formula of (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C24H17N5O5S.
What is the molecular weight of (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 487.10 g/mol.
Where can I buy (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-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-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-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-(4-nitrophenyl)furan-2-yl)methylene)-2-((o-tolyloxy)methyl)-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.