Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate
TL;DR: Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate (CAS 116896-76-5) is a chemical compound with molecular formula C14H10O6 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5,8-dioxonaphthalene-2,3-dicarboxylate
Also Known As: dimethyl 5,8-dioxonaphthalene-2,3-dicarboxylate, dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate, 2H-1,3,4-Oxadiazin-2-one,3,6-dihydro-5,6-dimethyl-6-phenyl, Dimethyl 5,8-dioxo-5,8-dihydro-2,3-naphthalenedicarboxylate, Dimethyl-5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate
| Molecular Formula | C14H10O6 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 1.195 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.04773 |
| Heavy Atoms | 20 |
| Complexity | 611.4869 |
Chemical Identifiers
| CAS Number | 116896-76-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=C2C(=O)C=CC(=O)C2=C1)C(=O)OC |
Product Overview
Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate (CAS 116896-76-5), with molecular formula C14H10O6 and molecular weight 274.05 g/mol. IUPAC: dimethyl 5,8-dioxonaphthalene-2,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate
Property Insights of Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate
The XLogP value of 1.195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate 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 Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate?
The CAS number of Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate is 116896-76-5.
What is the molecular formula of Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate?
The molecular formula of Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate is C14H10O6.
What is the molecular weight of Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate?
The molecular weight of Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate is 274.05 g/mol.
Where can I buy Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate?
You can request a quote for Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5,8-dioxo-5,8-dihydronaphthalene-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.