Dimethylnaphthalenesulphonic acid
TL;DR: Dimethylnaphthalenesulphonic acid (CAS 100519-05-9) is a chemical compound with molecular formula C12H12O3S and molecular weight 236.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethylnaphthalene-1-sulfonic acid
Also Known As: Dimethylnaphthalenesulphonic acid, dimethylnaphthalenesulphonicacid, 2,3-Dimethyl-1-naphthalenesulfonic acid, 2,3-dimethylnaphthalene-1-sulfonic acid, EINECS 250-461-9
| Molecular Formula | C12H12O3S |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | 2.70334 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.05072 |
| Heavy Atoms | 16 |
| Complexity | 657.26337 |
Chemical Identifiers
| CAS Number | 100519-05-9 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C(=C1C)S(=O)(=O)O |
Product Overview
Dimethylnaphthalenesulphonic acid (CAS 100519-05-9), with molecular formula C12H12O3S and molecular weight 236.05 g/mol. IUPAC: 2,3-dimethylnaphthalene-1-sulfonic acid.
Chemical Property Profile of Dimethylnaphthalenesulphonic acid
Property Insights of Dimethylnaphthalenesulphonic acid
The XLogP value of 2.70334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylnaphthalenesulphonic acid. With a topological polar surface area (TPSA) of 54.37 Ų, Dimethylnaphthalenesulphonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylnaphthalenesulphonic 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 Dimethylnaphthalenesulphonic acid?
The CAS number of Dimethylnaphthalenesulphonic acid is 100519-05-9.
What is the molecular formula of Dimethylnaphthalenesulphonic acid?
The molecular formula of Dimethylnaphthalenesulphonic acid is C12H12O3S.
What is the molecular weight of Dimethylnaphthalenesulphonic acid?
The molecular weight of Dimethylnaphthalenesulphonic acid is 236.05 g/mol.
Where can I buy Dimethylnaphthalenesulphonic acid?
You can request a quote for Dimethylnaphthalenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylnaphthalenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for Dimethylnaphthalenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.