![(E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/848/848682-69-9.png)
(E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 848682-69-9) is a chemical compound with molecular formula C29H24N6O3S and molecular weight 536.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-5-imino-6-[[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-5-imino-6-({1-[3-(2-methoxyphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-5-imino-6-[[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C29H24N6O3S |
|---|---|
| Molecular Weight | 536.16 g/mol |
| LogP | 5.18147 |
| Topological Polar Surface Area | 105.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.1631 |
| Heavy Atoms | 39 |
| Complexity | 1674.8665 |
Chemical Identifiers
| CAS Number | 848682-69-9 |
|---|---|
| SMILES | COC1=CC=CC=C1OCCCN2C=C(C3=CC=CC=C32)/C=C/4\C(=N)N5C(=NC4=O)SC(=N5)C6=CN=CC=C6 |
Product Overview
(E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 848682-69-9), with molecular formula C29H24N6O3S and molecular weight 536.16 g/mol. IUPAC: (6E)-5-imino-6-[[1-[3-(2-methoxyphenoxy)propyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.18147 indicates that (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-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 105.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-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-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 848682-69-9.
What is the molecular formula of (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C29H24N6O3S.
What is the molecular weight of (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 536.16 g/mol.
Where can I buy (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-5-imino-6-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-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-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-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-((1-(3-(2-methoxyphenoxy)propyl)-1H-indol-3-yl)methylene)-2-(pyridin-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.