![(Z)-5-imino-6-((1-(2-(m-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/532/532950-20-2.png)
(Z)-5-imino-6-((1-(2-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 532950-20-2) is a chemical compound with molecular formula C31H27N5O3S and molecular weight 549.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-5-imino-6-((1-(2-(m-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-[(2-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-6-[[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C31H27N5O3S |
|---|---|
| Molecular Weight | 549.18 g/mol |
| LogP | 6.03531 |
| Topological Polar Surface Area | 92.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.1835 |
| Heavy Atoms | 40 |
| Complexity | 1735.8291 |
Chemical Identifiers
| CAS Number | 532950-20-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCCN2C=C(C3=CC=CC=C32)/C=C\4/C(=N)N5C(=NC4=O)SC(=N5)COC6=CC=CC=C6C |
Product Overview
(Z)-5-imino-6-((1-(2-(m-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 532950-20-2), with molecular formula C31H27N5O3S and molecular weight 549.18 g/mol. IUPAC: (6Z)-5-imino-6-[[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-5-imino-6-((1-(2-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-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 6.03531 indicates that (Z)-5-imino-6-((1-(2-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 532950-20-2.
What is the molecular formula of (Z)-5-imino-6-((1-(2-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C31H27N5O3S.
What is the molecular weight of (Z)-5-imino-6-((1-(2-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 549.18 g/mol.
Where can I buy (Z)-5-imino-6-((1-(2-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-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-(m-tolyloxy)ethyl)-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.