![2-[4-Toluenesulfonyl]-1,4-naphthoquinone structure](/static/products/4085/408522-94-1.webp)
2-[4-Toluenesulfonyl]-1,4-naphthoquinone
TL;DR: 2-[4-Toluenesulfonyl]-1,4-naphthoquinone (CAS 408522-94-1) is a chemical compound with molecular formula C17H12O4S and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonylnaphthalene-1,4-dione
Also Known As: 2-tosylnaphthalene-1,4-dione, 2-[4-Toluenesulfonyl]-1,4-naphthoquinone, 2-(4-methylphenyl)sulfonylnaphthalene-1,4-dione, 2-(p-Tolylsulfonyl)-1,4-naphthoquinone, 2-[(4-Methylphenyl)sulfonyl]naphthoquinone #
| Molecular Formula | C17H12O4S |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.04562 |
| Heavy Atoms | 22 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 408522-94-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=O)C3=CC=CC=C3C2=O |
| InChIKey | UCFUGRHGHVYUOA-UHFFFAOYSA-N |
Product Overview
2-[4-Toluenesulfonyl]-1,4-naphthoquinone (CAS 408522-94-1), with molecular formula C17H12O4S and molecular weight 312.05 g/mol. IUPAC: 2-(4-methylphenyl)sulfonylnaphthalene-1,4-dione.
Chemical Property Profile of 2-[4-Toluenesulfonyl]-1,4-naphthoquinone
Property Insights of 2-[4-Toluenesulfonyl]-1,4-naphthoquinone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-Toluenesulfonyl]-1,4-naphthoquinone. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-Toluenesulfonyl]-1,4-naphthoquinone. Following Lipinski's Rule of Five, 2-[4-Toluenesulfonyl]-1,4-naphthoquinone has 0 hydrogen bond donor(s) and 4 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 2-[4-Toluenesulfonyl]-1,4-naphthoquinone?
The CAS number of 2-[4-Toluenesulfonyl]-1,4-naphthoquinone is 408522-94-1.
What is the molecular formula of 2-[4-Toluenesulfonyl]-1,4-naphthoquinone?
The molecular formula of 2-[4-Toluenesulfonyl]-1,4-naphthoquinone is C17H12O4S.
What is the molecular weight of 2-[4-Toluenesulfonyl]-1,4-naphthoquinone?
The molecular weight of 2-[4-Toluenesulfonyl]-1,4-naphthoquinone is 312.05 g/mol.
Where can I buy 2-[4-Toluenesulfonyl]-1,4-naphthoquinone?
You can request a quote for 2-[4-Toluenesulfonyl]-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-Toluenesulfonyl]-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-Toluenesulfonyl]-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.