RefChem:221654
TL;DR: RefChem:221654 (CAS 68109-91-1) is a chemical compound with molecular formula C14H6BrK2NO8S2 and molecular weight 536.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;8-amino-5-bromo-9,10-dioxoanthracene-1,7-disulfonate
Also Known As: 1,7-Anthracenedisulfonic acid, 8-amino-5-bromo-9,10-dihydro-9,10-dioxo-, dipotassium salt, dipotassium 8-amino-5-bromo-9,10-dioxo-9,10-dihydroanthracene-1,7-disulfonate, 1,7-Anthraquiononedisulfonic acid, 8-amino-5-bromo-, dipotassium salt, dipotassium 8-amino-5-bromo-9,10-dioxoanthracene-1,7-disulfonate, 1,7-Anthracenedisulfonic acid, 8-amino-5-bromo-9,10-dihydro-9,10-dioxo-, potassium salt (1:2)
| Molecular Formula | C14H6BrK2NO8S2 |
|---|---|
| Molecular Weight | 536.80 g/mol |
| LogP | -5.38 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 536.79926 |
| Heavy Atoms | 28 |
| Complexity | 803.0 |
Chemical Identifiers
| CAS Number | 68109-91-1 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C(=CC(=C3C2=O)Br)S(=O)(=O)[O-])N.[K+].[K+] |
| InChIKey | UKKRSTAUBTYOAS-UHFFFAOYSA-L |
Product Overview
RefChem:221654 (CAS 68109-91-1), with molecular formula C14H6BrK2NO8S2 and molecular weight 536.80 g/mol. IUPAC: dipotassium;8-amino-5-bromo-9,10-dioxoanthracene-1,7-disulfonate.
Chemical Property Profile of RefChem:221654
Property Insights of RefChem:221654
The XLogP value of -5.38 indicates that RefChem:221654 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting RefChem:221654 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:221654 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:221654?
The CAS number of RefChem:221654 is 68109-91-1.
What is the molecular formula of RefChem:221654?
The molecular formula of RefChem:221654 is C14H6BrK2NO8S2.
What is the molecular weight of RefChem:221654?
The molecular weight of RefChem:221654 is 536.80 g/mol.
Where can I buy RefChem:221654?
You can request a quote for RefChem:221654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:221654?
Yes, KEHONG BIO provides custom synthesis services for RefChem:221654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.