1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid
TL;DR: 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid (CAS 130-36-9) is a chemical compound with molecular formula C11H10O5S and molecular weight 254.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid
Also Known As: Menadione bisulfite, menadione sulfonate, Vikasolum, menadione sulfonic acid, MENADIONEBISULPHITE
| Molecular Formula | C11H10O5S |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.02489 |
| Heavy Atoms | 17 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 130-36-9 |
|---|---|
| SMILES | CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)O |
| InChIKey | WIXFIQKTHUVFDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid (CAS 130-36-9), with molecular formula C11H10O5S and molecular weight 254.02 g/mol. IUPAC: 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid.
Chemical Property Profile of 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid
Property Insights of 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid has 1 hydrogen bond donor(s) and 5 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 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid?
The CAS number of 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid is 130-36-9.
What is the molecular formula of 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid?
The molecular formula of 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid is C11H10O5S.
What is the molecular weight of 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid?
The molecular weight of 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid is 254.02 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid?
You can request a quote for 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-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 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.