![(Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/840/840478-74-2.png)
(Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840478-74-2) is a chemical compound with molecular formula C27H25N5O3S and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]methylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C27H25N5O3S |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 5.47367 |
| Topological Polar Surface Area | 92.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.16782 |
| Heavy Atoms | 36 |
| Complexity | 1498.3021 |
Chemical Identifiers
| CAS Number | 840478-74-2 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6)/C(=O)N=C2S1 |
Product Overview
(Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840478-74-2), with molecular formula C27H25N5O3S and molecular weight 499.17 g/mol. IUPAC: (6Z)-6-[[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.47367 indicates that (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-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 92.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-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)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 840478-74-2.
What is the molecular formula of (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C27H25N5O3S.
What is the molecular weight of (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 499.17 g/mol.
Where can I buy (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-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 (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indol-3-yl)methylene)-5-imino-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.