EINECS 216-856-5
TL;DR: EINECS 216-856-5 (CAS 1680-70-2) is a chemical compound with molecular formula C18H12BrK2NO6S and molecular weight 526.8843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dipotassium;7-bromo-N-(2-methoxyphenyl)-3-sulfonatooxynaphthalene-2-carboximidate
Also Known As: EINECS 216-856-5, Naphthol AS-BI potassium sulfate, Dipotassium 7-bromo-N-(2-methoxyphenyl)-3-(sulphonatooxy)naphthalene-2-carboxamidate, dipotassium;7-bromo-N-(2-methoxyphenyl)-3-sulfonatooxynaphthalene-2-carboximidate, potassium,[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] sulfate
Technical Specifications
| Molecular Formula | C18H12BrK2NO6S |
| Molecular Weight | 526.8843 g/mol |
| XLogP | -3.1035 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.8843 Da |
| Heavy Atoms | 29 |
| Complexity | 623.0 |
| SMILES | COC1=CC=CC=C1N=C(C2=C(C=C3C=CC(=CC3=C2)Br)OS(=O)(=O)[O-])[O-].[K+].[K+] |
| InChIKey | YQIUMFQNVRSDMG-UHFFFAOYSA-L |
Chemical Property Profile of EINECS 216-856-5
Property Insights of EINECS 216-856-5
The XLogP value of -3.1035 indicates that EINECS 216-856-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 216-856-5. Following Lipinski's Rule of Five, EINECS 216-856-5 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of EINECS 216-856-5?
The CAS number of EINECS 216-856-5 is 1680-70-2.
What is the molecular formula of EINECS 216-856-5?
The molecular formula of EINECS 216-856-5 is C18H12BrK2NO6S.
What is the molecular weight of EINECS 216-856-5?
The molecular weight of EINECS 216-856-5 is 526.8843 g/mol.
Where can I buy EINECS 216-856-5?
You can request a quote for EINECS 216-856-5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 216-856-5?
Yes, CoreyChem provides custom synthesis services for EINECS 216-856-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.