3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate
TL;DR: 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate (CAS 308299-29-8) is a chemical compound with molecular formula C22H11BrClNO7 and molecular weight 514.94 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] 2-chloro-4-nitrobenzoate
Also Known As: 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate, 3-(2-bromophenoxy)-4-oxochromen-7-yl 2-chloro-4-nitrobenzoate, [3-(2-bromophenoxy)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate
| Molecular Formula | C22H11BrClNO7 |
|---|---|
| Molecular Weight | 514.94 g/mol |
| LogP | 6.1286 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.94073 |
| Heavy Atoms | 32 |
| Complexity | 1433.7283 |
Chemical Identifiers
| CAS Number | 308299-29-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)Br |
Product Overview
3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate (CAS 308299-29-8), with molecular formula C22H11BrClNO7 and molecular weight 514.94 g/mol. IUPAC: [3-(2-bromophenoxy)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate.
Chemical Property Profile of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate
Property Insights of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate
The XLogP value of 6.1286 indicates that 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate. Following Lipinski's Rule of Five, 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate has 0 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-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate?
The CAS number of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate is 308299-29-8.
What is the molecular formula of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate?
The molecular formula of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate is C22H11BrClNO7.
What is the molecular weight of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate?
The molecular weight of 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate is 514.94 g/mol.
Where can I buy 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate?
You can request a quote for 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate 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 2-chloro-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.