![ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate structure](/static/products/112/112292-50-9.png)
ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate
TL;DR: ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate (CAS 112292-50-9) is a chemical compound with molecular formula C16H11BrO4 and molecular weight 345.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-bromo-3-oxobenzo[f]chromene-2-carboxylate
Also Known As: ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate, ethyl 8-bromo-3-oxobenzo[f]chromene-2-carboxylate, AE-848/12123148
| Molecular Formula | C16H11BrO4 |
|---|---|
| Molecular Weight | 345.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.98407 |
| Heavy Atoms | 21 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 112292-50-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=CC3=C2C=CC(=C3)Br)OC1=O |
| InChIKey | ZLMMMOQAMLZBRG-UHFFFAOYSA-N |
Product Overview
ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate (CAS 112292-50-9), with molecular formula C16H11BrO4 and molecular weight 345.98 g/mol. IUPAC: ethyl 8-bromo-3-oxobenzo[f]chromene-2-carboxylate.
Chemical Property Profile of ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate
Property Insights of ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate
The XLogP value of 4.3 indicates that ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-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-3-oxo-3H-benzo[f]chromene-2-carboxylate?
The CAS number of ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate is 112292-50-9.
What is the molecular formula of ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate?
The molecular formula of ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate is C16H11BrO4.
What is the molecular weight of ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate?
The molecular weight of ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate is 345.98 g/mol.
Where can I buy ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate?
You can request a quote for ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-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-3-oxo-3H-benzo[f]chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 8-bromo-3-oxo-3H-benzo[f]chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.