![(6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/848/848732-19-4.png)
(6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 848732-19-4) is a chemical compound with molecular formula C19H15BrN4O4S and molecular weight 474.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[(5-bromofuran-2-yl)methylidene]-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (E)-6-((5-bromofuran-2-yl)methylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C19H15BrN4O4S |
|---|---|
| Molecular Weight | 474.00 g/mol |
| LogP | 3.92117 |
| Topological Polar Surface Area | 100.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.99973 |
| Heavy Atoms | 29 |
| Complexity | 1105.3788 |
Chemical Identifiers
| CAS Number | 848732-19-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C(=N)/C(=C\C4=CC=C(O4)Br)/C(=O)N=C3S2)OC |
Product Overview
(6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 848732-19-4), with molecular formula C19H15BrN4O4S and molecular weight 474.00 g/mol. IUPAC: (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 3.92117 indicates that (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-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 100.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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 (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 848732-19-4.
What is the molecular formula of (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C19H15BrN4O4S.
What is the molecular weight of (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 474.00 g/mol.
Where can I buy (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-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 (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-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.