![(E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/849/849924-07-8.png)
(E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 849924-07-8) is a chemical compound with molecular formula C26H28N4O4S and molecular weight 492.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-5-imino-6-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-5-imino-6-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-5-imino-6-{4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C26H28N4O4S |
|---|---|
| Molecular Weight | 492.18 g/mol |
| LogP | 5.20837 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 492.18314 |
| Heavy Atoms | 35 |
| Complexity | 1168.8429 |
Chemical Identifiers
| CAS Number | 849924-07-8 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OCCOC4=CC=C(C=C4)OC)/C(=O)N=C2S1 |
Product Overview
(E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 849924-07-8), with molecular formula C26H28N4O4S and molecular weight 492.18 g/mol. IUPAC: (6E)-5-imino-6-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.20837 indicates that (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-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 (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-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 (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 849924-07-8.
What is the molecular formula of (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C26H28N4O4S.
What is the molecular weight of (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 492.18 g/mol.
Where can I buy (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-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 (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-imino-6-(4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-2-(pentan-3-yl)-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.