![(E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/714/714938-91-7.png)
(E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 714938-91-7) is a chemical compound with molecular formula C19H16N6O3S and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C19H16N6O3S |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 3.55973 |
| Topological Polar Surface Area | 116.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.10046 |
| Heavy Atoms | 29 |
| Complexity | 1190.7916 |
Chemical Identifiers
| CAS Number | 714938-91-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC=N4)C |
Product Overview
(E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 714938-91-7), with molecular formula C19H16N6O3S and molecular weight 408.10 g/mol. IUPAC: (6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-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-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 3.55973 indicates that (E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-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 116.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)-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 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 (E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 714938-91-7.
What is the molecular formula of (E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C19H16N6O3S.
What is the molecular weight of (E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 408.10 g/mol.
Where can I buy (E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)-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-(2-methyl-5-nitrophenyl)-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.