![(E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/799/799782-69-7.png)
(E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 799782-69-7) is a chemical compound with molecular formula C28H21N5O6 and molecular weight 523.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylideneamino]-8-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[(E)-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylideneamino]-8-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione, 3-{[(E)-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxyphenyl}methylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
| Molecular Formula | C28H21N5O6 |
|---|---|
| Molecular Weight | 523.15 g/mol |
| LogP | 2.8667 |
| Topological Polar Surface Area | 138.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.1492 |
| Heavy Atoms | 39 |
| Complexity | 1930.5359 |
Chemical Identifiers
| CAS Number | 799782-69-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2NC(=O)N(C3=O)/N=C/C4=CC(=C(C=C4)OC)CN5C(=O)C6=CC=CC=C6C5=O |
Product Overview
(E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 799782-69-7), with molecular formula C28H21N5O6 and molecular weight 523.15 g/mol. IUPAC: 3-[(E)-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methoxyphenyl]methylideneamino]-8-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 2.8667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 138.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 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)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 799782-69-7.
What is the molecular formula of (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C28H21N5O6.
What is the molecular weight of (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 523.15 g/mol.
Where can I buy (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3-((1,3-dioxoisoindolin-2-yl)methyl)-4-methoxybenzylidene)amino)-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.