(E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione
TL;DR: (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione (CAS 714286-80-3) is a chemical compound with molecular formula C29H23N3O6S and molecular weight 541.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2,4-dimethoxy-5-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione
Also Known As: (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione, 2-(2,4-dimethoxy-5-{(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzyl)-1H-isoindole-1,3(2H)-dione, 2-[[2,4-dimethoxy-5-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione
| Molecular Formula | C29H23N3O6S |
|---|---|
| Molecular Weight | 541.13 g/mol |
| LogP | 3.63972 |
| Topological Polar Surface Area | 105.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 541.13074 |
| Heavy Atoms | 39 |
| Complexity | 1560.0011 |
Chemical Identifiers
| CAS Number | 714286-80-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C=C(C(=C3)CN4C(=O)C5=CC=CC=C5C4=O)OC)OC)/C(=O)NC2=S |
Product Overview
(E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione (CAS 714286-80-3), with molecular formula C29H23N3O6S and molecular weight 541.13 g/mol. IUPAC: 2-[[2,4-dimethoxy-5-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione.
Chemical Property Profile of (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione
Property Insights of (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione
The XLogP value of 3.63972 indicates that (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-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-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-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-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione?
The CAS number of (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione is 714286-80-3.
What is the molecular formula of (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione?
The molecular formula of (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione is C29H23N3O6S.
What is the molecular weight of (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione?
The molecular weight of (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione is 541.13 g/mol.
Where can I buy (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione?
You can request a quote for (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-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-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-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.