![6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/5824/5824-54-4.webp)
6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 5824-54-4) is a chemical compound with molecular formula C31H29IN4O4S and molecular weight 680.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-({4-[2-(2,5-Dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl}methylidene)-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C31H29IN4O4S |
|---|---|
| Molecular Weight | 680.10 g/mol |
| LogP | 6.74043 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 680.0954 |
| Heavy Atoms | 41 |
| Complexity | 1615.0344 |
Chemical Identifiers
| CAS Number | 5824-54-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=C2C(=N)N3C(=NC2=O)SC(=N3)C4=CC=C(C=C4)C)I)OCCOC5=C(C=CC(=C5)C)C |
Product Overview
6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 5824-54-4), with molecular formula C31H29IN4O4S and molecular weight 680.10 g/mol. IUPAC: 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 6.74043 indicates that 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[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 96.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 5824-54-4.
What is the molecular formula of 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C31H29IN4O4S.
What is the molecular weight of 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 680.10 g/mol.
Where can I buy 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[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 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxy-5-iodophenyl]methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.