![(6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/850/850190-88-4.png)
(6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 850190-88-4) is a chemical compound with molecular formula C26H24ClN5OS and molecular weight 489.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{[1-(2-chlorobenzyl)-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, (E)-6-((1-(2-chlorobenzyl)-1H-indol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C26H24ClN5OS |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 6.39837 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.139 |
| Heavy Atoms | 34 |
| Complexity | 1399.1918 |
Chemical Identifiers
| CAS Number | 850190-88-4 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C\C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5Cl)/C(=O)N=C2S1 |
Product Overview
(6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 850190-88-4), with molecular formula C26H24ClN5OS and molecular weight 489.14 g/mol. IUPAC: (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 6.39837 indicates that (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[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 73.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 850190-88-4.
What is the molecular formula of (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C26H24ClN5OS.
What is the molecular weight of (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 489.14 g/mol.
Where can I buy (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[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 (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-6-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.