![(Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/524/524727-93-3.png)
(Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 524727-93-3) is a chemical compound with molecular formula C27H28N4O4S and molecular weight 504.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-2-ethyl-5-imino-6-[[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]-5-prop-2-enylphenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-2-ethyl-5-imino-6-[[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]-5-prop-2-enylphenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C27H28N4O4S |
|---|---|
| Molecular Weight | 504.18 g/mol |
| LogP | 5.21909 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 504.18314 |
| Heavy Atoms | 36 |
| Complexity | 1281.424 |
Chemical Identifiers
| CAS Number | 524727-93-3 |
|---|---|
| SMILES | CCC1=NN2C(=N)/C(=C/C3=CC(=C(C(=C3)OC)OCCOC4=CC=C(C=C4)C)CC=C)/C(=O)N=C2S1 |
Product Overview
(Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 524727-93-3), with molecular formula C27H28N4O4S and molecular weight 504.18 g/mol. IUPAC: (6Z)-2-ethyl-5-imino-6-[[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]-5-prop-2-enylphenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.21909 indicates that (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-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 96.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-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 (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 524727-93-3.
What is the molecular formula of (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C27H28N4O4S.
What is the molecular weight of (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 504.18 g/mol.
Where can I buy (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-6-(3-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-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-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-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-allyl-5-methoxy-4-(2-(p-tolyloxy)ethoxy)benzylidene)-2-ethyl-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.