![(Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/896/896830-03-8.png)
(Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896830-03-8) is a chemical compound with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-6-[[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 4-[(6Z)-6-{[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrol-3-yl]methylidene}-5-iminio-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenolate
| Molecular Formula | C23H23N5O3S |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 0.81131 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.15216 |
| Heavy Atoms | 32 |
| Complexity | 1473.3634 |
Chemical Identifiers
| CAS Number | 896830-03-8 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2CCCO2)C)/C=C\3/C(=N)N4C(=NC3=O)SC(=C5C=CC(=O)C=C5)N4 |
Product Overview
(Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 896830-03-8), with molecular formula C23H23N5O3S and molecular weight 449.15 g/mol. IUPAC: (6Z)-6-[[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 0.81131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. The TPSA of 105.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 2 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 (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 896830-03-8.
What is the molecular formula of (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C23H23N5O3S.
What is the molecular weight of (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 449.15 g/mol.
Where can I buy (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-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 (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-((2,5-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-3-yl)methylene)-2-(4-hydroxyphenyl)-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.