![[3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate structure](/static/products/4310/431075-93-3.webp)
[3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate
TL;DR: [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate (CAS 431075-93-3) is a chemical compound with molecular formula C22H11Cl2NO6 and molecular weight 455.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate
Also Known As: [3-(2-chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate, 3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 2-chloro-4-nitrobenzoate, 3-(2-chlorophenyl)-4-oxochromen-7-yl 2-chloro-4-nitrobenzoate
| Molecular Formula | C22H11Cl2NO6 |
|---|---|
| Molecular Weight | 455.00 g/mol |
| LogP | 5.8942 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.99634 |
| Heavy Atoms | 31 |
| Complexity | 1413.0382 |
Chemical Identifiers
| CAS Number | 431075-93-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)Cl |
Product Overview
[3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate (CAS 431075-93-3), with molecular formula C22H11Cl2NO6 and molecular weight 455.00 g/mol. IUPAC: [3-(2-chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate.
Chemical Property Profile of [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate
Property Insights of [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate
The XLogP value of 5.8942 indicates that [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.65 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate. Following Lipinski's Rule of Five, [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate 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 [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate?
The CAS number of [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate is 431075-93-3.
What is the molecular formula of [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate?
The molecular formula of [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate is C22H11Cl2NO6.
What is the molecular weight of [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate?
The molecular weight of [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate is 455.00 g/mol.
Where can I buy [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate?
You can request a quote for [3-(2-Chlorophenyl)-4-oxochromen-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-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [3-(2-Chlorophenyl)-4-oxochromen-7-yl] 2-chloro-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.