6,7-Dihydroxynaphthalene-2-carboxylic acid
TL;DR: 6,7-Dihydroxynaphthalene-2-carboxylic acid (CAS 113458-95-0) is a chemical compound with molecular formula C11H8O4 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydroxynaphthalene-2-carboxylic acid
Also Known As: 6,7-Dihydroxy-2-naphthoic acid, 6,7-dihydroxynaphthalene-2-carboxylic acid, 2-Naphthalenecarboxylic acid, 6,7-dihydroxy-, 2-Naphthalenecarboxylic acid 67-dihydroxy-, 2-Naphthalenecarboxylicacid, 6,7-dihydroxy-
| Molecular Formula | C11H8O4 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.04225 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 113458-95-0 |
|---|---|
| SMILES | C1=CC(=CC2=CC(=C(C=C21)O)O)C(=O)O |
| InChIKey | NEEWJIPREFDATB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7-Dihydroxynaphthalene-2-carboxylic acid (CAS 113458-95-0), with molecular formula C11H8O4 and molecular weight 204.04 g/mol. IUPAC: 6,7-dihydroxynaphthalene-2-carboxylic acid.
Chemical Property Profile of 6,7-Dihydroxynaphthalene-2-carboxylic acid
Property Insights of 6,7-Dihydroxynaphthalene-2-carboxylic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dihydroxynaphthalene-2-carboxylic acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dihydroxynaphthalene-2-carboxylic acid. Following Lipinski's Rule of Five, 6,7-Dihydroxynaphthalene-2-carboxylic acid has 3 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 6,7-Dihydroxynaphthalene-2-carboxylic acid?
The CAS number of 6,7-Dihydroxynaphthalene-2-carboxylic acid is 113458-95-0.
What is the molecular formula of 6,7-Dihydroxynaphthalene-2-carboxylic acid?
The molecular formula of 6,7-Dihydroxynaphthalene-2-carboxylic acid is C11H8O4.
What is the molecular weight of 6,7-Dihydroxynaphthalene-2-carboxylic acid?
The molecular weight of 6,7-Dihydroxynaphthalene-2-carboxylic acid is 204.04 g/mol.
Where can I buy 6,7-Dihydroxynaphthalene-2-carboxylic acid?
You can request a quote for 6,7-Dihydroxynaphthalene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dihydroxynaphthalene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dihydroxynaphthalene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.