![(Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/840/840478-85-5.png)
(Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840478-85-5) is a chemical compound with molecular formula C22H18ClN5O3S and molecular weight 467.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H18ClN5O3S |
|---|---|
| Molecular Weight | 467.08 g/mol |
| LogP | 4.23167 |
| Topological Polar Surface Area | 102.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.08188 |
| Heavy Atoms | 32 |
| Complexity | 1225.6594 |
Chemical Identifiers
| CAS Number | 840478-85-5 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC(=CC=C5)Cl)/C(=O)N=C3S2 |
Product Overview
(Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840478-85-5), with molecular formula C22H18ClN5O3S and molecular weight 467.08 g/mol. IUPAC: (6Z)-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.23167 indicates that (Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-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 102.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-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 6 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)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-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)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 840478-85-5.
What is the molecular formula of (Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-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)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C22H18ClN5O3S.
What is the molecular weight of (Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-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)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 467.08 g/mol.
Where can I buy (Z)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-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)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-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)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-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)-6-((5-(3-chlorophenyl)furan-2-yl)methylene)-5-imino-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.