2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester
TL;DR: 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester (CAS 83575-14-8) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,4-dioxonaphthalene-2-carboxylate
Also Known As: methyl 1,4-dioxonaphthalene-2-carboxylate, methyl 1,4-dioxo-1,4-dihydronaphthalene-2-carboxylate, 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester, J1.746.969J, 1,4-Dioxonaphthalene-2-carboxylic acid methyl ester
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 83575-14-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)C2=CC=CC=C2C1=O |
| InChIKey | XPMDGZGDHVXSKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester (CAS 83575-14-8), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: methyl 1,4-dioxonaphthalene-2-carboxylate.
Chemical Property Profile of 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester
Property Insights of 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester. Following Lipinski's Rule of Five, 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester 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 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester?
The CAS number of 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester is 83575-14-8.
What is the molecular formula of 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester?
The molecular formula of 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester is C12H8O4.
What is the molecular weight of 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester?
The molecular weight of 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester is 216.04 g/mol.
Where can I buy 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester?
You can request a quote for 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.