(Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
TL;DR: (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione (CAS 374086-23-4) is a chemical compound with molecular formula C27H27N3O5S and molecular weight 505.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(Z)-(1-hexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione
Also Known As: (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione, 2-[[5-[(Z)-(1-hexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione, 2-{5-[(Z)-(1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C27H27N3O5S |
|---|---|
| Molecular Weight | 505.17 g/mol |
| LogP | 3.6984 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 505.16714 |
| Heavy Atoms | 36 |
| Complexity | 1250.9203 |
Chemical Identifiers
| CAS Number | 374086-23-4 |
|---|---|
| SMILES | CCCCCCN1C(=O)/C(=C\C2=CC(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)/C(=O)NC1=S |
Product Overview
(Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione (CAS 374086-23-4), with molecular formula C27H27N3O5S and molecular weight 505.17 g/mol. IUPAC: 2-[[5-[(Z)-(1-hexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione.
Chemical Property Profile of (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
Property Insights of (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione
The XLogP value of 3.6984 indicates that (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-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-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-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-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The CAS number of (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is 374086-23-4.
What is the molecular formula of (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The molecular formula of (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is C27H27N3O5S.
What is the molecular weight of (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
The molecular weight of (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione is 505.17 g/mol.
Where can I buy (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
You can request a quote for (Z)-2-(5-((1-hexyl-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 (Z)-2-(5-((1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-((1-hexyl-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.