![(6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/690/690669-53-5.png)
(6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 690669-53-5) is a chemical compound with molecular formula C25H22FN5OS and molecular weight 459.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-2-ethyl-6-{[1-(2-fluorobenzyl)-2,5-dimethyl-1H-indol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C25H22FN5OS |
|---|---|
| Molecular Weight | 459.15 g/mol |
| LogP | 5.47471 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.15292 |
| Heavy Atoms | 33 |
| Complexity | 1432.0652 |
Chemical Identifiers
| CAS Number | 690669-53-5 |
|---|---|
| SMILES | CCC1=NN2C(=N)/C(=C\C3=C(N(C4=C3C=C(C=C4)C)CC5=CC=CC=C5F)C)/C(=O)N=C2S1 |
Product Overview
(6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 690669-53-5), with molecular formula C25H22FN5OS and molecular weight 459.15 g/mol. IUPAC: (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 5.47471 indicates that (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[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)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[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)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 690669-53-5.
What is the molecular formula of (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C25H22FN5OS.
What is the molecular weight of (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 459.15 g/mol.
Where can I buy (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[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)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-2-ethyl-6-[[1-[(2-fluorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.