![(6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](/static/products/5869/586995-15-5.webp)
(6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
TL;DR: (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 586995-15-5) is a chemical compound with molecular formula C23H15N5O4S2 and molecular weight 489.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (6Z)-3-(benzylsulfanyl)-5-imino-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (Z)-3-(benzylthio)-5-imino-6-((5-(4-nitrophenyl)furan-2-yl)methylene)-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one
| Molecular Formula | C23H15N5O4S2 |
|---|---|
| Molecular Weight | 489.06 g/mol |
| LogP | 5.36487 |
| Topological Polar Surface Area | 125.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.05655 |
| Heavy Atoms | 34 |
| Complexity | 1394.2284 |
Chemical Identifiers
| CAS Number | 586995-15-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NSC3=NC(=O)/C(=C\C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])/C(=N)N32 |
Product Overview
(6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one (CAS 586995-15-5), with molecular formula C23H15N5O4S2 and molecular weight 489.06 g/mol. IUPAC: (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Property Insights of (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
The XLogP value of 5.36487 indicates that (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The CAS number of (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 586995-15-5.
What is the molecular formula of (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular formula of (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is C23H15N5O4S2.
What is the molecular weight of (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
The molecular weight of (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is 489.06 g/mol.
Where can I buy (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
You can request a quote for (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-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)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-3-benzylsulfanyl-5-imino-6-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.