Sodium diisopropylnaphthalenesulphonate
TL;DR: Sodium diisopropylnaphthalenesulphonate (CAS 958801-82-6) is a chemical compound with molecular formula C16H20O3S and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-di(propan-2-yl)naphthalene-1-sulfonic acid
Also Known As: Sodium diisopropylnaphthalenesulphonate, 2,3-di(propan-2-yl)naphthalene-1-sulfonic acid, Diisopropylnaphthalenesulfonic acid, Sodium diisopropylnaphthalenesulfonate, 2,3-diisopropylnaphthalene-1-sulfonic acid
| Molecular Formula | C16H20O3S |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.1133 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 958801-82-6 |
|---|---|
| SMILES | CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)O |
| InChIKey | LWEAHXKXKDCSIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium diisopropylnaphthalenesulphonate (CAS 958801-82-6), with molecular formula C16H20O3S and molecular weight 292.11 g/mol. IUPAC: 2,3-di(propan-2-yl)naphthalene-1-sulfonic acid.
Chemical Property Profile of Sodium diisopropylnaphthalenesulphonate
Property Insights of Sodium diisopropylnaphthalenesulphonate
The XLogP value of 4.2 indicates that Sodium diisopropylnaphthalenesulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium diisopropylnaphthalenesulphonate. Following Lipinski's Rule of Five, Sodium diisopropylnaphthalenesulphonate has 1 hydrogen bond donor(s) and 3 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 diisopropylnaphthalenesulphonate?
The CAS number of Sodium diisopropylnaphthalenesulphonate is 958801-82-6.
What is the molecular formula of Sodium diisopropylnaphthalenesulphonate?
The molecular formula of Sodium diisopropylnaphthalenesulphonate is C16H20O3S.
What is the molecular weight of Sodium diisopropylnaphthalenesulphonate?
The molecular weight of Sodium diisopropylnaphthalenesulphonate is 292.11 g/mol.
Where can I buy Sodium diisopropylnaphthalenesulphonate?
You can request a quote for Sodium diisopropylnaphthalenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium diisopropylnaphthalenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium diisopropylnaphthalenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.