2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate
TL;DR: 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate (CAS 5301-64-4) is a chemical compound with molecular formula C21H15BrO5 and molecular weight 426.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 2-oxo-8-prop-2-enylchromene-3-carboxylate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate, AB00079383-01, AB00079383-03, F0777-0437, 2-(4-bromophenyl)-2-oxoethyl 8-allyl-2-oxo-2H-chromene-3-carboxylate
| Molecular Formula | C21H15BrO5 |
|---|---|
| Molecular Weight | 426.01 g/mol |
| LogP | 4.3237 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.01028 |
| Heavy Atoms | 27 |
| Complexity | 1079.9175 |
Chemical Identifiers
| CAS Number | 5301-64-4 |
|---|---|
| SMILES | C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate (CAS 5301-64-4), with molecular formula C21H15BrO5 and molecular weight 426.01 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 2-oxo-8-prop-2-enylchromene-3-carboxylate.
Chemical Property Profile of 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate
Property Insights of 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate
The XLogP value of 4.3237 indicates that 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-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 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate?
The CAS number of 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate is 5301-64-4.
What is the molecular formula of 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate?
The molecular formula of 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate is C21H15BrO5.
What is the molecular weight of 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate?
The molecular weight of 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate is 426.01 g/mol.
Where can I buy 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate?
You can request a quote for 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-2-oxoethyl 2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.