![(E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/372/372183-77-2.png)
(E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 372183-77-2) is a chemical compound with molecular formula C21H20N4O4 and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 2-methyl-3-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C21H20N4O4 |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 3.09422 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.14847 |
| Heavy Atoms | 29 |
| Complexity | 1278.5145 |
Chemical Identifiers
| CAS Number | 372183-77-2 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=CC(=C(C(=C3)OC)OC)OC)NC4=CC=CC=C42 |
Product Overview
(E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 372183-77-2), with molecular formula C21H20N4O4 and molecular weight 392.15 g/mol. IUPAC: 2-methyl-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.09422 indicates that (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 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 (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 372183-77-2.
What is the molecular formula of (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is C21H20N4O4.
What is the molecular weight of (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 392.15 g/mol.
Where can I buy (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-methyl-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.