(E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione
TL;DR: (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione (CAS 713089-20-4) is a chemical compound with molecular formula C28H20FN3O6S and molecular weight 545.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,4-dimethoxyphenyl]methyl]isoindole-1,3-dione
Also Known As: (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione, 2-(5-{(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,4-dimethoxybenzyl)-1H-isoindole-1,3(2H)-dione, 2-[[5-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,4-dimethoxyphenyl]methyl]isoindole-1,3-dione
| Molecular Formula | C28H20FN3O6S |
|---|---|
| Molecular Weight | 545.11 g/mol |
| LogP | 3.4704 |
| Topological Polar Surface Area | 105.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.1057 |
| Heavy Atoms | 39 |
| Complexity | 1566.2766 |
Chemical Identifiers
| CAS Number | 713089-20-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CN2C(=O)C3=CC=CC=C3C2=O)/C=C/4\C(=O)NC(=S)N(C4=O)C5=CC=C(C=C5)F)OC |
Product Overview
(E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione (CAS 713089-20-4), with molecular formula C28H20FN3O6S and molecular weight 545.11 g/mol. IUPAC: 2-[[5-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,4-dimethoxyphenyl]methyl]isoindole-1,3-dione.
Chemical Property Profile of (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione
Property Insights of (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione
The XLogP value of 3.4704 indicates that (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione?
The CAS number of (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione is 713089-20-4.
What is the molecular formula of (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione?
The molecular formula of (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione is C28H20FN3O6S.
What is the molecular weight of (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione?
The molecular weight of (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione is 545.11 g/mol.
Where can I buy (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione?
You can request a quote for (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.