![(E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/369/369604-05-7.png)
(E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 369604-05-7) is a chemical compound with molecular formula C18H12BrClN4O and molecular weight 413.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-[(E)-(4-chlorophenyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 8-bromo-3-[(E)-(4-chlorophenyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one, 8-bromo-3-{[(E)-(4-chlorophenyl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H12BrClN4O |
|---|---|
| Molecular Weight | 413.99 g/mol |
| LogP | 4.48432 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.9883 |
| Heavy Atoms | 25 |
| Complexity | 1191.8682 |
Chemical Identifiers
| CAS Number | 369604-05-7 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=CC=C(C=C3)Cl)NC4=C2C=C(C=C4)Br |
Product Overview
(E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 369604-05-7), with molecular formula C18H12BrClN4O and molecular weight 413.99 g/mol. IUPAC: 8-bromo-3-[(E)-(4-chlorophenyl)methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.48432 indicates that (E)-8-bromo-3-((4-chlorobenzylidene)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 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 3 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-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 369604-05-7.
What is the molecular formula of (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C18H12BrClN4O.
What is the molecular weight of (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 413.99 g/mol.
Where can I buy (E)-8-bromo-3-((4-chlorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-8-bromo-3-((4-chlorobenzylidene)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-chlorobenzylidene)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-chlorobenzylidene)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.