![(6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/4048/404846-99-7.webp)
(6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 404846-99-7) is a chemical compound with molecular formula C22H13FN4O2S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H13FN4O2S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 4.75317 |
| Topological Polar Surface Area | 82.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.0743 |
| Heavy Atoms | 30 |
| Complexity | 1259.8043 |
Chemical Identifiers
| CAS Number | 404846-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC=C(C=C5)F)/C(=O)N=C3S2 |
Product Overview
(6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 404846-99-7), with molecular formula C22H13FN4O2S and molecular weight 416.07 g/mol. IUPAC: (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.75317 indicates that (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 5 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)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 404846-99-7.
What is the molecular formula of (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C22H13FN4O2S.
What is the molecular weight of (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 416.07 g/mol.
Where can I buy (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[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)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.