![ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate structure](/static/products/1253/125365-59-5.webp)
ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate
TL;DR: ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate (CAS 125365-59-5) is a chemical compound with molecular formula C17H13Br2NO4 and molecular weight 452.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxobenzo[e]indole-1-carboxylate
Also Known As: ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate, ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxobenzo[e]indole-1-carboxylate, Ethyl 8-bromo-2-bromomethyl-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate
| Molecular Formula | C17H13Br2NO4 |
|---|---|
| Molecular Weight | 452.92 g/mol |
| LogP | 3.9052 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.92114 |
| Heavy Atoms | 24 |
| Complexity | 898.4809 |
Chemical Identifiers
| CAS Number | 125365-59-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C3=C(C=CC(=C3)Br)C(=O)C2=O)C)CBr |
Product Overview
ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate (CAS 125365-59-5), with molecular formula C17H13Br2NO4 and molecular weight 452.92 g/mol. IUPAC: ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxobenzo[e]indole-1-carboxylate.
Chemical Property Profile of ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate
Property Insights of ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate
The XLogP value of 3.9052 indicates that ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate. Following Lipinski's Rule of Five, ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate has 0 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 ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate?
The CAS number of ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate is 125365-59-5.
What is the molecular formula of ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate?
The molecular formula of ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate is C17H13Br2NO4.
What is the molecular weight of ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate?
The molecular weight of ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate is 452.92 g/mol.
Where can I buy ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate?
You can request a quote for ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 8-bromo-2-(bromomethyl)-3-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.