3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate
TL;DR: 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate (CAS 303119-12-2) is a chemical compound with molecular formula C22H13BrO5 and molecular weight 435.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-bromophenoxy)-4-oxochromen-7-yl] benzoate
Also Known As: BIM-0005475.P001, 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate, 3-(2-bromophenoxy)-4-oxochromen-7-yl benzoate, AB01300558-01, [3-(2-bromophenoxy)-4-oxochromen-7-yl] benzoate
| Molecular Formula | C22H13BrO5 |
|---|---|
| Molecular Weight | 435.99 g/mol |
| LogP | 5.567 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.99463 |
| Heavy Atoms | 28 |
| Complexity | 1214.5127 |
Chemical Identifiers
| CAS Number | 303119-12-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=CC=C4Br |
Product Overview
3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate (CAS 303119-12-2), with molecular formula C22H13BrO5 and molecular weight 435.99 g/mol. IUPAC: [3-(2-bromophenoxy)-4-oxochromen-7-yl] benzoate.
Chemical Property Profile of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate
Property Insights of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate
The XLogP value of 5.567 indicates that 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate 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 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate. Following Lipinski's Rule of Five, 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate?
The CAS number of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate is 303119-12-2.
What is the molecular formula of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate?
The molecular formula of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate is C22H13BrO5.
What is the molecular weight of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate?
The molecular weight of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate is 435.99 g/mol.
Where can I buy 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate?
You can request a quote for 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.