6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid
TL;DR: 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid (CAS 58232-39-6) is a chemical compound with molecular formula C13H10N2O5S and molecular weight 306.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-methyl-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid
Also Known As: 6-amino-2-methyl-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinoline-5-sulfonic acid, 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid, 6-amino-2-methyl-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid, 6-amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonic acid, 1H-Benz[de]isoquinoline-5-sulfonicacid, 6-amino-2,3-dihydro-2-methyl-1,3-dioxo-
| Molecular Formula | C13H10N2O5S |
|---|---|
| Molecular Weight | 306.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.03104 |
| Heavy Atoms | 21 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 58232-39-6 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC3=C2C(=CC(=C3N)S(=O)(=O)O)C1=O |
| InChIKey | TWYFYMSPRMAKNI-UHFFFAOYSA-N |
Product Overview
6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid (CAS 58232-39-6), with molecular formula C13H10N2O5S and molecular weight 306.03 g/mol. IUPAC: 6-amino-2-methyl-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid.
Chemical Property Profile of 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid
Property Insights of 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid. Following Lipinski's Rule of Five, 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic 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 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid?
The CAS number of 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid is 58232-39-6.
What is the molecular formula of 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid?
The molecular formula of 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid is C13H10N2O5S.
What is the molecular weight of 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid?
The molecular weight of 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid is 306.03 g/mol.
Where can I buy 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid?
You can request a quote for 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.