Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate
TL;DR: Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate (CAS 500111-58-0) is a chemical compound with molecular formula C10H12O4S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3,4-dihydro-1H-naphthalene-2-sulfonic acid
Also Known As: EINECS 228-531-5, 2-hydroxy-3,4-dihydro-1H-naphthalene-2-sulfonic acid, Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate, 1,2,3,4-Tetrahydro-2-hydroxy-2-naphthalenesulfonic acid, 1,2,3,4-Tetrahydro-2-hydroxy-2-naphthalenesulfonic acid sodium salt
| Molecular Formula | C10H12O4S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.04562 |
| Heavy Atoms | 15 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 500111-58-0 |
|---|---|
| SMILES | C1CC(CC2=CC=CC=C21)(O)S(=O)(=O)O |
| InChIKey | QBRKFGGAOFUKQV-UHFFFAOYSA-N |
Product Overview
Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate (CAS 500111-58-0), with molecular formula C10H12O4S and molecular weight 228.05 g/mol. IUPAC: 2-hydroxy-3,4-dihydro-1H-naphthalene-2-sulfonic acid.
Chemical Property Profile of Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate
Property Insights of Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate. Following Lipinski's Rule of Five, Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate has 2 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 Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate?
The CAS number of Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate is 500111-58-0.
What is the molecular formula of Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate?
The molecular formula of Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate is C10H12O4S.
What is the molecular weight of Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate?
The molecular weight of Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate is 228.05 g/mol.
Where can I buy Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate?
You can request a quote for Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.