2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
TL;DR: 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione (CAS 374095-46-2) is a chemical compound with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione
Also Known As: 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione, 2-[[5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione, 2-{5-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C23H19N3O5S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 2.0901 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.10455 |
| Heavy Atoms | 32 |
| Complexity | 1174.8877 |
Chemical Identifiers
| CAS Number | 374095-46-2 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)N(C1=S)C |
Product Overview
2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione (CAS 374095-46-2), with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol. IUPAC: 2-[[5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
Property Insights of 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
The XLogP value of 2.0901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione has 0 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 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The CAS number of 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is 374095-46-2.
What is the molecular formula of 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The molecular formula of 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is C23H19N3O5S.
What is the molecular weight of 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The molecular weight of 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is 449.10 g/mol.
Where can I buy 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
You can request a quote for 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)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 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.