Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate
TL;DR: Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate (CAS 96644-14-3) is a chemical compound with molecular formula C18H13BrO5 and molecular weight 387.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate
Also Known As: ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate, 4'-bromo-2-ethoxycarbonyl-7-hydroxyisoflavone, AB01286059-01, F1190-0482
| Molecular Formula | C18H13BrO5 |
|---|---|
| Molecular Weight | 387.99 g/mol |
| LogP | 4.1048 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.99463 |
| Heavy Atoms | 24 |
| Complexity | 973.10596 |
Chemical Identifiers
| CAS Number | 96644-14-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)Br |
Product Overview
Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate (CAS 96644-14-3), with molecular formula C18H13BrO5 and molecular weight 387.99 g/mol. IUPAC: ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate
Property Insights of Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate
The XLogP value of 4.1048 indicates that Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate has 1 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-hydroxy-4-oxochromene-2-carboxylate?
The CAS number of Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate is 96644-14-3.
What is the molecular formula of Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate?
The molecular formula of Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate is C18H13BrO5.
What is the molecular weight of Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate?
The molecular weight of Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate is 387.99 g/mol.
Where can I buy Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate?
You can request a quote for Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-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-hydroxy-4-oxochromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-bromophenyl)-7-hydroxy-4-oxochromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.