1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid
TL;DR: 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid (CAS 53757-31-6) is a chemical compound with molecular formula C14H6O7 and molecular weight 286.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8,10-dicarboxylic acid
Also Known As: 1,4,5,8-Naphthalenetetracarboxylic acid 1,8-monoanhydride, 1,3-dioxo-1,3-dihydrobenzo[de]isochromene-6,7-dicarboxylic acid, EC 619-817-4, J2.748.289I, 1,3-Dioxo-1H,3H-naphtho[1,8-cd]pyran-6,7-dicarboxylic acid
| Molecular Formula | C14H6O7 |
|---|---|
| Molecular Weight | 286.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.01135 |
| Heavy Atoms | 21 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 53757-31-6 |
|---|---|
| SMILES | C1=CC(=C2C(=CC=C3C2=C1C(=O)OC3=O)C(=O)O)C(=O)O |
| InChIKey | YQXRNSHBINARCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid (CAS 53757-31-6), with molecular formula C14H6O7 and molecular weight 286.01 g/mol. IUPAC: 2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-8,10-dicarboxylic acid.
Chemical Property Profile of 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid
Property Insights of 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid. Following Lipinski's Rule of Five, 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid has 2 hydrogen bond donor(s) and 7 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 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid?
The CAS number of 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid is 53757-31-6.
What is the molecular formula of 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid?
The molecular formula of 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid is C14H6O7.
What is the molecular weight of 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid?
The molecular weight of 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid is 286.01 g/mol.
Where can I buy 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid?
You can request a quote for 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxo-1H,3H-naphtho(1,8-cd)pyran-6,7-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.