![(E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/371/371949-53-0.png)
(E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 371949-53-0) is a chemical compound with molecular formula C20H18N4O4 and molecular weight 378.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 3-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H18N4O4 |
|---|---|
| Molecular Weight | 378.13 g/mol |
| LogP | 2.7858 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.1328 |
| Heavy Atoms | 28 |
| Complexity | 1231.2643 |
Chemical Identifiers
| CAS Number | 371949-53-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/N2C=NC3=C(C2=O)NC4=CC=CC=C43 |
Product Overview
(E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 371949-53-0), with molecular formula C20H18N4O4 and molecular weight 378.13 g/mol. IUPAC: 3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.7858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-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)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 371949-53-0.
What is the molecular formula of (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H18N4O4.
What is the molecular weight of (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 378.13 g/mol.
Where can I buy (E)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-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)-3-((3,4,5-trimethoxybenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-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.