![(6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/847/847336-68-9.png)
(6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 847336-68-9) is a chemical compound with molecular formula C21H21N5OS and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-((1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, 6-[1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-meth-(Z)-ylidene]-2-ethyl-5-imino-5,6-dihydro-[1,3,4]thiadiaz olo[3,2-a]pyrimidin-7-one
| Molecular Formula | C21H21N5OS |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 4.18241 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.14667 |
| Heavy Atoms | 28 |
| Complexity | 1061.9651 |
Chemical Identifiers
| CAS Number | 847336-68-9 |
|---|---|
| SMILES | CCC1=NN2C(=N)/C(=C/C3=C(N(C(=C3)C)CC4=CC=CC=C4)C)/C(=O)N=C2S1 |
Product Overview
(6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 847336-68-9), with molecular formula C21H21N5OS and molecular weight 391.15 g/mol. IUPAC: (6Z)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.18241 indicates that (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[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 (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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 (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 847336-68-9.
What is the molecular formula of (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C21H21N5OS.
What is the molecular weight of (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 391.15 g/mol.
Where can I buy (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[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 (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.