Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate
TL;DR: Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate (CAS 52765-08-9) is a chemical compound with molecular formula C20H16O4 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methylphenyl)-1,4-dioxonaphthalene-2-carboxylate
Also Known As: ethyl 3-(4-methylphenyl)-1,4-dioxonaphthalene-2-carboxylate, 2-naphthalenecarboxylic acid,1,4-dihydro-3-(4-methylphenyl)-1,4-dioxo-, ethyl ester, ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate
| Molecular Formula | C20H16O4 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 3.39092 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.10486 |
| Heavy Atoms | 24 |
| Complexity | 872.7668 |
Chemical Identifiers
| CAS Number | 52765-08-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)C |
Product Overview
Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate (CAS 52765-08-9), with molecular formula C20H16O4 and molecular weight 320.10 g/mol. IUPAC: ethyl 3-(4-methylphenyl)-1,4-dioxonaphthalene-2-carboxylate.
Chemical Property Profile of Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate
Property Insights of Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate
The XLogP value of 3.39092 indicates that Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate. Following Lipinski's Rule of Five, Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate has 0 hydrogen bond donor(s) and 4 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 Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate?
The CAS number of Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate is 52765-08-9.
What is the molecular formula of Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate?
The molecular formula of Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate is C20H16O4.
What is the molecular weight of Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate?
The molecular weight of Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate is 320.10 g/mol.
Where can I buy Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate?
You can request a quote for Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-methylphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.