6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid
TL;DR: 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid (CAS 52173-68-9) is a chemical compound with molecular formula C12H8N2O5S and molecular weight 292.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid
Also Known As: 6-amino-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid, 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid, 6-amino-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinoline-5-sulfonic acid, 6-amino-2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonic acid, 1H-Benz(de)isoquinoline-5-sulfonic acid, 6-amino-2,3-dihydro-1,3-dioxo-
| Molecular Formula | C12H8N2O5S |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.01538 |
| Heavy Atoms | 20 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 52173-68-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC(=C2N)S(=O)(=O)O |
| InChIKey | CTKMZCFTOKMBBS-UHFFFAOYSA-N |
Product Overview
6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid (CAS 52173-68-9), with molecular formula C12H8N2O5S and molecular weight 292.02 g/mol. IUPAC: 6-amino-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid.
Chemical Property Profile of 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid
Property Insights of 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid. Following Lipinski's Rule of Five, 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid has 3 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-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid?
The CAS number of 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid is 52173-68-9.
What is the molecular formula of 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid?
The molecular formula of 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid is C12H8N2O5S.
What is the molecular weight of 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid?
The molecular weight of 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid is 292.02 g/mol.
Where can I buy 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid?
You can request a quote for 6-Amino-2,3-dihydro-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-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.