![(Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/844/844451-16-7.png)
(Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 844451-16-7) is a chemical compound with molecular formula C22H26N4O3S and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-2-(2-cyclohexylethyl)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-2-(2-cyclohexylethyl)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H26N4O3S |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 4.68347 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.17258 |
| Heavy Atoms | 30 |
| Complexity | 947.70105 |
Chemical Identifiers
| CAS Number | 844451-16-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CCC4CCCCC4)OC |
Product Overview
(Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 844451-16-7), with molecular formula C22H26N4O3S and molecular weight 426.17 g/mol. IUPAC: (6Z)-2-(2-cyclohexylethyl)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.68347 indicates that (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-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 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-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)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 844451-16-7.
What is the molecular formula of (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C22H26N4O3S.
What is the molecular weight of (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 426.17 g/mol.
Where can I buy (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-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)-6-(3,4-dimethoxybenzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-cyclohexylethyl)-6-(3,4-dimethoxybenzylidene)-5-imino-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.