![2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid structure](/static/products/5422/54229-25-3.webp)
2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid
TL;DR: 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid (CAS 54229-25-3) is a chemical compound with molecular formula C14H12N2O5S and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-(methylamino)-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid
Also Known As: 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid, 2-methyl-6-(methylamino)-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid
| Molecular Formula | C14H12N2O5S |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.0467 |
| Heavy Atoms | 22 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 54229-25-3 |
|---|---|
| SMILES | CNC1=C(C=C2C3=C1C=CC=C3C(=O)N(C2=O)C)S(=O)(=O)O |
| InChIKey | VYOCMAQYLOBQAS-UHFFFAOYSA-N |
Product Overview
2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid (CAS 54229-25-3), with molecular formula C14H12N2O5S and molecular weight 320.05 g/mol. IUPAC: 2-methyl-6-(methylamino)-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid.
Chemical Property Profile of 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid
Property Insights of 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid. Following Lipinski's Rule of Five, 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid has 2 hydrogen bond donor(s) and 6 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-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid?
The CAS number of 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid is 54229-25-3.
What is the molecular formula of 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid?
The molecular formula of 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid is C14H12N2O5S.
What is the molecular weight of 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid?
The molecular weight of 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid is 320.05 g/mol.
Where can I buy 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid?
You can request a quote for 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-6-(methylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.