![(Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/848/848686-73-7.png)
(Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 848686-73-7) is a chemical compound with molecular formula C21H23BrN4O2S and molecular weight 474.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C21H23BrN4O2S |
|---|---|
| Molecular Weight | 474.07 g/mol |
| LogP | 5.43737 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.0725 |
| Heavy Atoms | 29 |
| Complexity | 934.6088 |
Chemical Identifiers
| CAS Number | 848686-73-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CCC4CCCCC4)Br |
Product Overview
(Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 848686-73-7), with molecular formula C21H23BrN4O2S and molecular weight 474.07 g/mol. IUPAC: (6Z)-6-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.43737 indicates that (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-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 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-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)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 848686-73-7.
What is the molecular formula of (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C21H23BrN4O2S.
What is the molecular weight of (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 474.07 g/mol.
Where can I buy (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-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)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-(3-bromo-4-methoxybenzylidene)-2-(2-cyclohexylethyl)-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.