1-Butylnaphthalene-2-sulfonic acid
TL;DR: 1-Butylnaphthalene-2-sulfonic acid (CAS 85567-58-4) is a chemical compound with molecular formula C14H16O3S and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylnaphthalene-2-sulfonic acid
Also Known As: 1-butylnaphthalene-2-sulfonic acid, Butylnaphthalene-2-sulphonic acid, butylnaphthalene-2-sulphonicacid, 1-Butyl-2-naphthalenesulfonic acid, BUTYLNAPHTHALENE-2-SULFONIC ACID
| Molecular Formula | C14H16O3S |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.082 |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 85567-58-4 |
|---|---|
| SMILES | CCCCC1=C(C=CC2=CC=CC=C21)S(=O)(=O)O |
| InChIKey | KGRKBAKQGAXOFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butylnaphthalene-2-sulfonic acid (CAS 85567-58-4), with molecular formula C14H16O3S and molecular weight 264.08 g/mol. IUPAC: 1-butylnaphthalene-2-sulfonic acid.
Chemical Property Profile of 1-Butylnaphthalene-2-sulfonic acid
Property Insights of 1-Butylnaphthalene-2-sulfonic acid
The XLogP value of 3.8 indicates that 1-Butylnaphthalene-2-sulfonic acid 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 1-Butylnaphthalene-2-sulfonic acid. Following Lipinski's Rule of Five, 1-Butylnaphthalene-2-sulfonic acid 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 1-Butylnaphthalene-2-sulfonic acid?
The CAS number of 1-Butylnaphthalene-2-sulfonic acid is 85567-58-4.
What is the molecular formula of 1-Butylnaphthalene-2-sulfonic acid?
The molecular formula of 1-Butylnaphthalene-2-sulfonic acid is C14H16O3S.
What is the molecular weight of 1-Butylnaphthalene-2-sulfonic acid?
The molecular weight of 1-Butylnaphthalene-2-sulfonic acid is 264.08 g/mol.
Where can I buy 1-Butylnaphthalene-2-sulfonic acid?
You can request a quote for 1-Butylnaphthalene-2-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylnaphthalene-2-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylnaphthalene-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.