![(E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/850/850158-76-8.png)
(E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 850158-76-8) is a chemical compound with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[1-(2-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[[1-(2-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H23N5O2S |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 4.52201 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.15726 |
| Heavy Atoms | 30 |
| Complexity | 1142.3918 |
Chemical Identifiers
| CAS Number | 850158-76-8 |
|---|---|
| SMILES | CCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC=C4OCC)C)/C(=O)N=C2S1 |
Product Overview
(E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 850158-76-8), with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol. IUPAC: (6E)-6-[[1-(2-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.52201 indicates that (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-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 83.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 5 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 (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 850158-76-8.
What is the molecular formula of (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C22H23N5O2S.
What is the molecular weight of (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 421.16 g/mol.
Where can I buy (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-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 (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-((1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-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.