1,4-Naphthoquinone-2-sulfonate
TL;DR: 1,4-Naphthoquinone-2-sulfonate (CAS 5690-16-4) is a chemical compound with molecular formula C10H6O5S and molecular weight 237.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dioxonaphthalene-2-sulfonic acid
Also Known As: 1,4-dioxonaphthalene-2-sulfonic acid, Naphthochinonsulfosaure, 1,4-Naphthoquinone-2-sulfonate, 1,4-Naphthoquinone-2-sulfonic acid, 1,4-Naphthoquinone-2-potassium sulfonate
| Molecular Formula | C10H6O5S |
|---|---|
| Molecular Weight | 237.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.99359 |
| Heavy Atoms | 16 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 5690-16-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)S(=O)(=O)O |
| InChIKey | IAGVANYWTGRDOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthoquinone-2-sulfonate (CAS 5690-16-4), with molecular formula C10H6O5S and molecular weight 237.99 g/mol. IUPAC: 1,4-dioxonaphthalene-2-sulfonic acid.
Chemical Property Profile of 1,4-Naphthoquinone-2-sulfonate
Property Insights of 1,4-Naphthoquinone-2-sulfonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthoquinone-2-sulfonate. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthoquinone-2-sulfonate. Following Lipinski's Rule of Five, 1,4-Naphthoquinone-2-sulfonate has 1 hydrogen bond donor(s) and 5 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 1,4-Naphthoquinone-2-sulfonate?
The CAS number of 1,4-Naphthoquinone-2-sulfonate is 5690-16-4.
What is the molecular formula of 1,4-Naphthoquinone-2-sulfonate?
The molecular formula of 1,4-Naphthoquinone-2-sulfonate is C10H6O5S.
What is the molecular weight of 1,4-Naphthoquinone-2-sulfonate?
The molecular weight of 1,4-Naphthoquinone-2-sulfonate is 237.99 g/mol.
Where can I buy 1,4-Naphthoquinone-2-sulfonate?
You can request a quote for 1,4-Naphthoquinone-2-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthoquinone-2-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthoquinone-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.