![ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate structure](/static/products/5389/53891-42-2.webp)
ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate
TL;DR: ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate (CAS 53891-42-2) is a chemical compound with molecular formula C20H15NO4 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-16-carboxylate
Also Known As: BAS 05532749, ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate, AQ-390/42132461, ethyl 14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-16-carboxylate, 3-Methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylic acid ethyl ester
| Molecular Formula | C20H15NO4 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 2.9266 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.1001 |
| Heavy Atoms | 25 |
| Complexity | 1124.4797 |
Chemical Identifiers
| CAS Number | 53891-42-2 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)N(C1=O)C |
Product Overview
ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate (CAS 53891-42-2), with molecular formula C20H15NO4 and molecular weight 333.10 g/mol. IUPAC: ethyl 14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-16-carboxylate.
Chemical Property Profile of ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate
Property Insights of ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate
The XLogP value of 2.9266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate. Following Lipinski's Rule of Five, ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate 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-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate?
The CAS number of ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate is 53891-42-2.
What is the molecular formula of ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate?
The molecular formula of ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate is C20H15NO4.
What is the molecular weight of ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate?
The molecular weight of ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate is 333.10 g/mol.
Where can I buy ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate?
You can request a quote for ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.