ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate
TL;DR: ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate (CAS 578699-04-4) is a chemical compound with molecular formula C20H17BrO5 and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxochromene-2-carboxylate
Also Known As: ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate, UPCMLD0ENAT0514-4690:001, ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxochromene-2-carboxylate, AB01310546-01, AF-399/41502109
| Molecular Formula | C20H17BrO5 |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 4.7979 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.02594 |
| Heavy Atoms | 26 |
| Complexity | 1005.12555 |
Chemical Identifiers
| CAS Number | 578699-04-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC=C(C=C3)Br |
Product Overview
ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate (CAS 578699-04-4), with molecular formula C20H17BrO5 and molecular weight 416.03 g/mol. IUPAC: ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate
Property Insights of ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate
The XLogP value of 4.7979 indicates that ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate has 0 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 ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate?
The CAS number of ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate is 578699-04-4.
What is the molecular formula of ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate?
The molecular formula of ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate is C20H17BrO5.
What is the molecular weight of ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate?
The molecular weight of ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate is 416.03 g/mol.
Where can I buy ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate?
You can request a quote for ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-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 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(4-bromophenyl)-7-ethoxy-4-oxo-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.