Isopropylnaphthalenesulphonic acid
TL;DR: Isopropylnaphthalenesulphonic acid (CAS 31093-48-8) 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.
2-propan-2-ylnaphthalene-1-sulfonic acid
Also Known As: Isopropylnaphthalenesulphonic acid, EINECS 250-462-4, ISOPROPYLNAPHTHALENESULFONIC ACID, Naphthalenesulfonicacid, (1-methylethyl)-, 2-propan-2-ylnaphthalene-1-sulfonic acid
| Molecular Formula | C13H14O3S |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 3.2099 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.06636 |
| Heavy Atoms | 17 |
| Complexity | 657.41895 |
Chemical Identifiers
| CAS Number | 31093-48-8 |
|---|---|
| SMILES | CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O |
Product Overview
Isopropylnaphthalenesulphonic acid (CAS 31093-48-8), with molecular formula C13H14O3S and molecular weight 250.07 g/mol. IUPAC: 2-propan-2-ylnaphthalene-1-sulfonic acid.
Chemical Property Profile of Isopropylnaphthalenesulphonic acid
Property Insights of Isopropylnaphthalenesulphonic acid
The XLogP value of 3.2099 indicates that Isopropylnaphthalenesulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, Isopropylnaphthalenesulphonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropylnaphthalenesulphonic acid has 1 hydrogen bond donor(s) and 2 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 Isopropylnaphthalenesulphonic acid?
The CAS number of Isopropylnaphthalenesulphonic acid is 31093-48-8.
What is the molecular formula of Isopropylnaphthalenesulphonic acid?
The molecular formula of Isopropylnaphthalenesulphonic acid is C13H14O3S.
What is the molecular weight of Isopropylnaphthalenesulphonic acid?
The molecular weight of Isopropylnaphthalenesulphonic acid is 250.07 g/mol.
Where can I buy Isopropylnaphthalenesulphonic acid?
You can request a quote for Isopropylnaphthalenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylnaphthalenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for Isopropylnaphthalenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.