![(E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/799/799795-46-3.png)
(E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 799795-46-3) is a chemical compound with molecular formula C19H15BrN4O2 and molecular weight 410.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 8-bromo-3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one, 8-bromo-3-{[(E)-(4-methoxyphenyl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C19H15BrN4O2 |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | 3.83952 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.03784 |
| Heavy Atoms | 26 |
| Complexity | 1206.3903 |
Chemical Identifiers
| CAS Number | 799795-46-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=CC=C(C=C3)OC)NC4=C2C=C(C=C4)Br |
Product Overview
(E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 799795-46-3), with molecular formula C19H15BrN4O2 and molecular weight 410.04 g/mol. IUPAC: 8-bromo-3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.83952 indicates that (E)-8-bromo-3-((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 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 4 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)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 799795-46-3.
What is the molecular formula of (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C19H15BrN4O2.
What is the molecular weight of (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 410.04 g/mol.
Where can I buy (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-8-bromo-3-((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 (E)-8-bromo-3-((4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-bromo-3-((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.