![(Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/531/531518-23-7.png)
(Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 531518-23-7) is a chemical compound with molecular formula C30H25N5O3S and molecular weight 535.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C30H25N5O3S |
|---|---|
| Molecular Weight | 535.17 g/mol |
| LogP | 5.72689 |
| Topological Polar Surface Area | 92.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.1678 |
| Heavy Atoms | 39 |
| Complexity | 1672.4413 |
Chemical Identifiers
| CAS Number | 531518-23-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN3C(=N)/C(=C/C4=CN(C5=CC=CC=C54)CCOC6=CC=CC=C6)/C(=O)N=C3S2 |
Product Overview
(Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 531518-23-7), with molecular formula C30H25N5O3S and molecular weight 535.17 g/mol. IUPAC: (6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.72689 indicates that (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-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 92.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 531518-23-7.
What is the molecular formula of (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C30H25N5O3S.
What is the molecular weight of (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 535.17 g/mol.
Where can I buy (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-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)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-imino-6-((1-(2-phenoxyethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-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.