![(E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/799/799803-05-7.png)
(E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 799803-05-7) is a chemical compound with molecular formula C19H13BrN4O3 and molecular weight 424.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-bromo-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-bromo-2-methyl-5H-pyrimido[5,4-b]indol-4-one, 3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-8-bromo-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C19H13BrN4O3 |
|---|---|
| Molecular Weight | 424.02 g/mol |
| LogP | 3.55962 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.0171 |
| Heavy Atoms | 27 |
| Complexity | 1306.0382 |
Chemical Identifiers
| CAS Number | 799803-05-7 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=CC4=C(C=C3)OCO4)NC5=C2C=C(C=C5)Br |
Product Overview
(E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 799803-05-7), with molecular formula C19H13BrN4O3 and molecular weight 424.02 g/mol. IUPAC: 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-8-bromo-2-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.55962 indicates that (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-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 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 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 (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 799803-05-7.
What is the molecular formula of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C19H13BrN4O3.
What is the molecular weight of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 424.02 g/mol.
Where can I buy (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-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)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-8-bromo-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.