![(E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/850/850189-72-9.png)
(E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 850189-72-9) is a chemical compound with molecular formula C22H17N5OS and molecular weight 399.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H17N5OS |
|---|---|
| Molecular Weight | 399.12 g/mol |
| LogP | 4.49631 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.1154 |
| Heavy Atoms | 29 |
| Complexity | 1292.525 |
Chemical Identifiers
| CAS Number | 850189-72-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)/C=C/4\C(=N)N5C(=NC4=O)SC=N5 |
Product Overview
(E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 850189-72-9), with molecular formula C22H17N5OS and molecular weight 399.12 g/mol. IUPAC: (6E)-6-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.49631 indicates that (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-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 73.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 4 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-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 850189-72-9.
What is the molecular formula of (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C22H17N5OS.
What is the molecular weight of (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 399.12 g/mol.
Where can I buy (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-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-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-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.