![(Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/840/840499-75-4.png)
(Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840499-75-4) is a chemical compound with molecular formula C25H20N4O4S and molecular weight 472.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C25H20N4O4S |
|---|---|
| Molecular Weight | 472.12 g/mol |
| LogP | 4.82567 |
| Topological Polar Surface Area | 100.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.1205 |
| Heavy Atoms | 34 |
| Complexity | 1374.5624 |
Chemical Identifiers
| CAS Number | 840499-75-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC=CC=C5)/C(=O)N=C3S2)OC |
Product Overview
(Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 840499-75-4), with molecular formula C25H20N4O4S and molecular weight 472.12 g/mol. IUPAC: (6Z)-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.82567 indicates that (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-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 100.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 7 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)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 840499-75-4.
What is the molecular formula of (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C25H20N4O4S.
What is the molecular weight of (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 472.12 g/mol.
Where can I buy (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-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)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(3,4-dimethoxybenzyl)-5-imino-6-((5-phenylfuran-2-yl)methylene)-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.