![(6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/847/847339-96-2.png)
(6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 847339-96-2) is a chemical compound with molecular formula C29H24N6O2S and molecular weight 520.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-6-[[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-5-imino-2-(pyridin-3-yl)-6-((1-(3-(p-tolyloxy)propyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C29H24N6O2S |
|---|---|
| Molecular Weight | 520.17 g/mol |
| LogP | 5.48129 |
| Topological Polar Surface Area | 95.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.16815 |
| Heavy Atoms | 38 |
| Complexity | 1636.868 |
Chemical Identifiers
| CAS Number | 847339-96-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCCN2C=C(C3=CC=CC=C32)/C=C\4/C(=N)N5C(=NC4=O)SC(=N5)C6=CN=CC=C6 |
Product Overview
(6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 847339-96-2), with molecular formula C29H24N6O2S and molecular weight 520.17 g/mol. IUPAC: (6Z)-5-imino-6-[[1-[3-(4-methylphenoxy)propyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 5.48129 indicates that (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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 (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 847339-96-2.
What is the molecular formula of (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C29H24N6O2S.
What is the molecular weight of (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 520.17 g/mol.
Where can I buy (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-5-imino-6-({1-[3-(4-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.