![butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate structure](/static/products/4336/433697-87-1.webp)
butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate
TL;DR: butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate (CAS 433697-87-1) is a chemical compound with molecular formula C22H21BrO6 and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxypropanoate
Also Known As: AB01312613-01, AE-641/40793219, butyl 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxypropanoate, butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate, butyl 2-[3-(2-bromophenoxy)-4-oxochromen-7-yloxy]propanoate
| Molecular Formula | C22H21BrO6 |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 5.4584 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.05215 |
| Heavy Atoms | 29 |
| Complexity | 1058.597 |
Chemical Identifiers
| CAS Number | 433697-87-1 |
|---|---|
| SMILES | CCCCOC(=O)C(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3Br |
Product Overview
butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate (CAS 433697-87-1), with molecular formula C22H21BrO6 and molecular weight 460.05 g/mol. IUPAC: butyl 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxypropanoate.
Chemical Property Profile of butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate
Property Insights of butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate
The XLogP value of 5.4584 indicates that butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate. Following Lipinski's Rule of Five, butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate?
The CAS number of butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate is 433697-87-1.
What is the molecular formula of butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate?
The molecular formula of butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate is C22H21BrO6.
What is the molecular weight of butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate?
The molecular weight of butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate is 460.05 g/mol.
Where can I buy butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate?
You can request a quote for butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.