1-(1-Methylethyl)-2-naphthalenesulfonic acid
TL;DR: 1-(1-Methylethyl)-2-naphthalenesulfonic acid (CAS 710268-75-0) 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.
1-propan-2-ylnaphthalene-2-sulfonic acid
Also Known As: 1-(1-Methylethyl)-2-naphthalenesulfonic acid, 1-propan-2-ylnaphthalene-2-sulfonic acid, 1-(Propan-2-yl)naphthalene-2-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 | 710268-75-0 |
|---|---|
| SMILES | CC(C)C1=C(C=CC2=CC=CC=C21)S(=O)(=O)O |
| InChIKey | MRIOWYUNDFDYOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Methylethyl)-2-naphthalenesulfonic acid (CAS 710268-75-0), with molecular formula C13H14O3S and molecular weight 250.07 g/mol. IUPAC: 1-propan-2-ylnaphthalene-2-sulfonic acid.
Chemical Property Profile of 1-(1-Methylethyl)-2-naphthalenesulfonic acid
Property Insights of 1-(1-Methylethyl)-2-naphthalenesulfonic acid
The XLogP value of 3.0 indicates that 1-(1-Methylethyl)-2-naphthalenesulfonic 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-(1-Methylethyl)-2-naphthalenesulfonic acid. Following Lipinski's Rule of Five, 1-(1-Methylethyl)-2-naphthalenesulfonic 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-(1-Methylethyl)-2-naphthalenesulfonic acid?
The CAS number of 1-(1-Methylethyl)-2-naphthalenesulfonic acid is 710268-75-0.
What is the molecular formula of 1-(1-Methylethyl)-2-naphthalenesulfonic acid?
The molecular formula of 1-(1-Methylethyl)-2-naphthalenesulfonic acid is C13H14O3S.
What is the molecular weight of 1-(1-Methylethyl)-2-naphthalenesulfonic acid?
The molecular weight of 1-(1-Methylethyl)-2-naphthalenesulfonic acid is 250.07 g/mol.
Where can I buy 1-(1-Methylethyl)-2-naphthalenesulfonic acid?
You can request a quote for 1-(1-Methylethyl)-2-naphthalenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methylethyl)-2-naphthalenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methylethyl)-2-naphthalenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.