3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
TL;DR: 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester (CAS 637746-83-9) is a chemical compound with molecular formula C24H25BrN2O5 and molecular weight 500.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-bromophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxochromene-2-carboxylate
Also Known As: 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester, ethyl 3-(4-bromophenyl)-7-hydroxy-8-((4-methylpiperazin-1-yl)methyl)-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(4-bromophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(4-bromophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxochromene-2-carboxylate, ethyl 3-(4-bromophenyl)-7-hydroxy-8-[(4-methylpiperazinyl)methyl]-4-oxochromen e-2-carboxylate
| Molecular Formula | C24H25BrN2O5 |
|---|---|
| Molecular Weight | 500.09 g/mol |
| LogP | 3.8522 |
| Topological Polar Surface Area | 83.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.09467 |
| Heavy Atoms | 32 |
| Complexity | 1197.7205 |
Chemical Identifiers
| CAS Number | 637746-83-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C)C4=CC=C(C=C4)Br |
Product Overview
3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester (CAS 637746-83-9), with molecular formula C24H25BrN2O5 and molecular weight 500.09 g/mol. IUPAC: ethyl 3-(4-bromophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxochromene-2-carboxylate.
Chemical Property Profile of 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
Property Insights of 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
The XLogP value of 3.8522 indicates that 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester?
The CAS number of 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester is 637746-83-9.
What is the molecular formula of 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester?
The molecular formula of 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester is C24H25BrN2O5.
What is the molecular weight of 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester?
The molecular weight of 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester is 500.09 g/mol.
Where can I buy 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester?
You can request a quote for 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromo-phenyl)-7-hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.