![(6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/844/844458-15-7.png)
(6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 844458-15-7) is a chemical compound with molecular formula C25H25ClN4O2S and molecular weight 480.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}-2-(2-cyclohexylethyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-((5-(3-chloro-4-methylphenyl)furan-2-yl)methylene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C25H25ClN4O2S |
|---|---|
| Molecular Weight | 480.14 g/mol |
| LogP | 6.88809 |
| Topological Polar Surface Area | 82.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.13867 |
| Heavy Atoms | 33 |
| Complexity | 1206.7391 |
Chemical Identifiers
| CAS Number | 844458-15-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)CCC5CCCCC5)Cl |
Product Overview
(6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 844458-15-7), with molecular formula C25H25ClN4O2S and molecular weight 480.14 g/mol. IUPAC: (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 6.88809 indicates that (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[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-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 844458-15-7.
What is the molecular formula of (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C25H25ClN4O2S.
What is the molecular weight of (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 480.14 g/mol.
Where can I buy (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[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-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.