![3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/369/369392-35-8.png)
3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 369392-35-8) is a chemical compound with molecular formula C21H15BrN4O4 and molecular weight 466.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enylidene]amino]-8-bromo-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enylidene]amino]-8-bromo-1,5-dihydropyrimido[5,4-b]indole-2,4-dione, 3-{[(1E,2E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ylidene]amino}-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
| Molecular Formula | C21H15BrN4O4 |
|---|---|
| Molecular Weight | 466.03 g/mol |
| LogP | 3.5997 |
| Topological Polar Surface Area | 101.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.02768 |
| Heavy Atoms | 30 |
| Complexity | 1492.9386 |
Chemical Identifiers
| CAS Number | 369392-35-8 |
|---|---|
| SMILES | C/C(=C\C1=CC2=C(C=C1)OCO2)/C=N/N3C(=O)C4=C(C5=C(N4)C=CC(=C5)Br)NC3=O |
Product Overview
3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 369392-35-8), with molecular formula C21H15BrN4O4 and molecular weight 466.03 g/mol. IUPAC: 3-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enylidene]amino]-8-bromo-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 3.5997 indicates that 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione 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 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 369392-35-8.
What is the molecular formula of 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C21H15BrN4O4.
What is the molecular weight of 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 466.03 g/mol.
Where can I buy 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-((E)-((E)-3-(benzo[d][1,3]dioxol-5-yl)-2-methylallylidene)amino)-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.