1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
TL;DR: 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid (CAS 116-81-4) is a chemical compound with molecular formula C14H8BrNO5S and molecular weight 380.93066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: Bromaminic acid, Bromamine acid, bromoamine acid, bronamine acid, Alizarine Cyanol Grey G
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H8BrNO5S |
| Molecular Weight | 380.93066 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.93066 Da |
| Heavy Atoms | 22 |
| Complexity | 601.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br |
| InChIKey | QZZSAWGVHXXMID-UHFFFAOYSA-N |
Chemical Property Profile of 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
Property Insights of 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid. Following Lipinski's Rule of Five, 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic 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
What is the CAS number of 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid?
The CAS number of 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid is 116-81-4.
What is the molecular formula of 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid?
The molecular formula of 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid is C14H8BrNO5S.
What is the molecular weight of 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid?
The molecular weight of 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid is 380.93066 g/mol.
Where can I buy 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid?
You can request a quote for 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.