(Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
TL;DR: (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione (CAS 374093-92-2) is a chemical compound with molecular formula C28H21N3O5S and molecular weight 511.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-methoxy-5-[(Z)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione
Also Known As: (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione, 2-[[2-methoxy-5-[(Z)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione
| Molecular Formula | C28H21N3O5S |
|---|---|
| Molecular Weight | 511.12 g/mol |
| LogP | 3.63112 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.12018 |
| Heavy Atoms | 37 |
| Complexity | 1492.0222 |
Chemical Identifiers
| CAS Number | 374093-92-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)/C(=O)NC2=S |
Product Overview
(Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione (CAS 374093-92-2), with molecular formula C28H21N3O5S and molecular weight 511.12 g/mol. IUPAC: 2-[[2-methoxy-5-[(Z)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione.
Chemical Property Profile of (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
Property Insights of (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
The XLogP value of 3.63112 indicates that (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The CAS number of (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is 374093-92-2.
What is the molecular formula of (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The molecular formula of (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is C28H21N3O5S.
What is the molecular weight of (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The molecular weight of (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is 511.12 g/mol.
Where can I buy (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
You can request a quote for (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-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 (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.