![(Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/848/848917-65-7.png)
(Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 848917-65-7) is a chemical compound with molecular formula C21H24N4OS2 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-2-(2-cyclohexylethyl)-5-imino-6-[(4-methylsulfanylphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-2-(2-cyclohexylethyl)-5-imino-6-[(4-methylsulfanylphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C21H24N4OS2 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 5.38817 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.13916 |
| Heavy Atoms | 28 |
| Complexity | 866.8967 |
Chemical Identifiers
| CAS Number | 848917-65-7 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CCC4CCCCC4 |
Product Overview
(Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 848917-65-7), with molecular formula C21H24N4OS2 and molecular weight 412.14 g/mol. IUPAC: (6Z)-2-(2-cyclohexylethyl)-5-imino-6-[(4-methylsulfanylphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.38817 indicates that (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-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 68.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-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 (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 848917-65-7.
What is the molecular formula of (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C21H24N4OS2.
What is the molecular weight of (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 412.14 g/mol.
Where can I buy (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-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)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-cyclohexylethyl)-5-imino-6-(4-(methylthio)benzylidene)-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.