5-(Propan-2-yl)naphthalene-1-sulfonic acid
TL;DR: 5-(Propan-2-yl)naphthalene-1-sulfonic acid (CAS 131-26-0) is a chemical compound with molecular formula C13H14O3S and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propan-2-ylnaphthalene-1-sulfonic acid
Also Known As: 5-isopropyl-1-naphthalenesulfonic acid, 5-propan-2-ylnaphthalene-1-sulfonic Acid, 5-(propan-2-yl)naphthalene-1-sulfonic acid
| Molecular Formula | C13H14O3S |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.06636 |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 131-26-0 |
|---|---|
| SMILES | CC(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O |
| InChIKey | QJLACXXJNPNCQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Propan-2-yl)naphthalene-1-sulfonic acid (CAS 131-26-0), with molecular formula C13H14O3S and molecular weight 250.07 g/mol. IUPAC: 5-propan-2-ylnaphthalene-1-sulfonic acid.
Chemical Property Profile of 5-(Propan-2-yl)naphthalene-1-sulfonic acid
Property Insights of 5-(Propan-2-yl)naphthalene-1-sulfonic acid
The XLogP value of 3.0 indicates that 5-(Propan-2-yl)naphthalene-1-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 5-(Propan-2-yl)naphthalene-1-sulfonic acid. Following Lipinski's Rule of Five, 5-(Propan-2-yl)naphthalene-1-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 5-(Propan-2-yl)naphthalene-1-sulfonic acid?
The CAS number of 5-(Propan-2-yl)naphthalene-1-sulfonic acid is 131-26-0.
What is the molecular formula of 5-(Propan-2-yl)naphthalene-1-sulfonic acid?
The molecular formula of 5-(Propan-2-yl)naphthalene-1-sulfonic acid is C13H14O3S.
What is the molecular weight of 5-(Propan-2-yl)naphthalene-1-sulfonic acid?
The molecular weight of 5-(Propan-2-yl)naphthalene-1-sulfonic acid is 250.07 g/mol.
Where can I buy 5-(Propan-2-yl)naphthalene-1-sulfonic acid?
You can request a quote for 5-(Propan-2-yl)naphthalene-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Propan-2-yl)naphthalene-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Propan-2-yl)naphthalene-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.