![ethyl bromo(oxo)[?]carboxylate structure](/static/products/6560/65602-77-9.webp)
ethyl bromo(oxo)[?]carboxylate
TL;DR: ethyl bromo(oxo)[?]carboxylate (CAS 65602-77-9) is a chemical compound with molecular formula C14H12BrNO3 and molecular weight 321.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxylate
Also Known As: ethyl bromo(oxo)[?]carboxylate, NCI60_002635, ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxy, Benz[cd]indole-2-carboxylic acid, 4-bromo-1,3,4, 5-tetrahydro-5-oxo-, ethyl ester, ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxylate
| Molecular Formula | C14H12BrNO3 |
|---|---|
| Molecular Weight | 321.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.00006 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 65602-77-9 |
|---|---|
| SMILES | CCOC(=O)C1=C2CC(C(=O)C3=C2C(=CC=C3)N1)Br |
| InChIKey | NOTGKWNERPTYSN-UHFFFAOYSA-N |
Product Overview
ethyl bromo(oxo)[?]carboxylate (CAS 65602-77-9), with molecular formula C14H12BrNO3 and molecular weight 321.00 g/mol. IUPAC: ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxylate.
Chemical Property Profile of ethyl bromo(oxo)[?]carboxylate
Property Insights of ethyl bromo(oxo)[?]carboxylate
The XLogP value of 3.2 indicates that ethyl bromo(oxo)[?]carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.2 Ų, ethyl bromo(oxo)[?]carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl bromo(oxo)[?]carboxylate 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 ethyl bromo(oxo)[?]carboxylate?
The CAS number of ethyl bromo(oxo)[?]carboxylate is 65602-77-9.
What is the molecular formula of ethyl bromo(oxo)[?]carboxylate?
The molecular formula of ethyl bromo(oxo)[?]carboxylate is C14H12BrNO3.
What is the molecular weight of ethyl bromo(oxo)[?]carboxylate?
The molecular weight of ethyl bromo(oxo)[?]carboxylate is 321.00 g/mol.
Where can I buy ethyl bromo(oxo)[?]carboxylate?
You can request a quote for ethyl bromo(oxo)[?]carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl bromo(oxo)[?]carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl bromo(oxo)[?]carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.