![8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/487/487008-26-4.png)
8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 487008-26-4) is a chemical compound with molecular formula C20H17BrN4O3 and molecular weight 440.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-[[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 8-bromo-3-[(Z)-[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one, 8-bromo-3-[[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H17BrN4O3 |
|---|---|
| Molecular Weight | 440.05 g/mol |
| LogP | 3.33182 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.0484 |
| Heavy Atoms | 28 |
| Complexity | 1290.3289 |
Chemical Identifiers
| CAS Number | 487008-26-4 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1N=CC3=CC(=C(C=C3)OC)CO)NC4=C2C=C(C=C4)Br |
Product Overview
8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 487008-26-4), with molecular formula C20H17BrN4O3 and molecular weight 440.05 g/mol. IUPAC: 8-bromo-3-[[3-(hydroxymethyl)-4-methoxyphenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.33182 indicates that 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-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 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 2 hydrogen bond donor(s) and 5 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 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 487008-26-4.
What is the molecular formula of 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H17BrN4O3.
What is the molecular weight of 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 440.05 g/mol.
Where can I buy 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-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 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-3-((3-(hydroxymethyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.