![(6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/850/850157-33-4.png)
(6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 850157-33-4) is a chemical compound with molecular formula C20H19N5O2S2 and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (E)-5-imino-6-((1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(methylthio)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C20H19N5O2S2 |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 4.04241 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.09802 |
| Heavy Atoms | 29 |
| Complexity | 1129.8865 |
Chemical Identifiers
| CAS Number | 850157-33-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)SC |
Product Overview
(6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 850157-33-4), with molecular formula C20H19N5O2S2 and molecular weight 425.10 g/mol. IUPAC: (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.04241 indicates that (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[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 83.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 850157-33-4.
What is the molecular formula of (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C20H19N5O2S2.
What is the molecular weight of (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 425.10 g/mol.
Where can I buy (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[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)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-5-imino-6-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.