![3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/840/840511-55-9.png)
3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 840511-55-9) 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-[(2,4-dimethoxyphenyl)methylideneamino]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(2,4-dimethoxyphenyl)methylideneamino]-7-methoxy-5H-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 | 1256.5143 |
Chemical Identifiers
| CAS Number | 840511-55-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)N=CC4=C(C=C(C=C4)OC)OC |
Product Overview
3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 840511-55-9), with molecular formula C20H18N4O4 and molecular weight 378.13 g/mol. IUPAC: 3-[(2,4-dimethoxyphenyl)methylideneamino]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-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 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-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 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-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 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 840511-55-9.
What is the molecular formula of 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H18N4O4.
What is the molecular weight of 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 378.13 g/mol.
Where can I buy 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-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 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,4-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.