![(E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/899/899414-19-8.png)
(E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 899414-19-8) is a chemical compound with molecular formula C19H17N5O2S and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-{3-[(E)-(5-iminio-2-methyl-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenolate
| Molecular Formula | C19H17N5O2S |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 3.43881 |
| Topological Polar Surface Area | 94.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.1103 |
| Heavy Atoms | 27 |
| Complexity | 1093.5148 |
Chemical Identifiers
| CAS Number | 899414-19-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2O)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C |
Product Overview
(E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 899414-19-8), with molecular formula C19H17N5O2S and molecular weight 379.11 g/mol. IUPAC: (6E)-6-[[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 3.43881 indicates that (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-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 94.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 2 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-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 899414-19-8.
What is the molecular formula of (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C19H17N5O2S.
What is the molecular weight of (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 379.11 g/mol.
Where can I buy (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-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-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-((1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-methyl-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.