5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid
TL;DR: 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid (CAS 117-13-5) is a chemical compound with molecular formula C14H8BrNO8S2 and molecular weight 460.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-8-bromo-9,10-dioxoanthracene-1,6-disulfonic acid
Also Known As: 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid, 5-amino-8-bromo-9,10-dioxoanthracene-1,6-disulfonic acid, 5-amino-8-bromo-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonic acid, 1,6-Anthracenedisulfonic acid, 5-amino-8-bromo-9,10-dihydro-9,10-dioxo-, 1,6-Anthracenedisulfonicacid, 5-amino-8-bromo-9,10-dihydro-9,10-dioxo-
| Molecular Formula | C14H8BrNO8S2 |
|---|---|
| Molecular Weight | 460.89 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.88748 |
| Heavy Atoms | 26 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 117-13-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br |
| InChIKey | OEBFYWPAABOJCP-UHFFFAOYSA-N |
Product Overview
5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid (CAS 117-13-5), with molecular formula C14H8BrNO8S2 and molecular weight 460.89 g/mol. IUPAC: 5-amino-8-bromo-9,10-dioxoanthracene-1,6-disulfonic acid.
Chemical Property Profile of 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid
Property Insights of 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid. The TPSA of 186.0 Ų indicates high polarity, suggesting 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid has 3 hydrogen bond donor(s) and 9 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 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid?
The CAS number of 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid is 117-13-5.
What is the molecular formula of 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid?
The molecular formula of 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid is C14H8BrNO8S2.
What is the molecular weight of 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid?
The molecular weight of 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid is 460.89 g/mol.
Where can I buy 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid?
You can request a quote for 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.