![2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate structure](/static/products/797/79712-63-3.png)
2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate
TL;DR: 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate (CAS 79712-63-3) is a chemical compound with molecular formula C22H17ClN2O5 and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate
Also Known As: 2-ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate, 2-ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3, 2-ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxo-benzo[f]indazole-3-carboxylate, 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylate, 1H-Benz[f]indazole-3-carboxylic acid, 1-(4-chlorophenyl)-4,9-dihydro-4,9-dioxo-, 2-ethoxyethyl ester
| Molecular Formula | C22H17ClN2O5 |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.0826 |
| Heavy Atoms | 30 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 79712-63-3 |
|---|---|
| SMILES | CCOCCOC(=O)C1=NN(C2=C1C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl |
| InChIKey | AOTHYMRCVSJSFX-UHFFFAOYSA-N |
Product Overview
2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate (CAS 79712-63-3), with molecular formula C22H17ClN2O5 and molecular weight 424.08 g/mol. IUPAC: 2-ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate.
Chemical Property Profile of 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate
Property Insights of 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate
The XLogP value of 4.2 indicates that 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate. Following Lipinski's Rule of Five, 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate has 0 hydrogen bond donor(s) and 6 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-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate?
The CAS number of 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate is 79712-63-3.
What is the molecular formula of 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate?
The molecular formula of 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate is C22H17ClN2O5.
What is the molecular weight of 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate?
The molecular weight of 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate is 424.08 g/mol.
Where can I buy 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate?
You can request a quote for 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-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-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxyethyl 1-(4-chlorophenyl)-4,9-dioxobenzo[f]indazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.