Bromo-seltzer
TL;DR: Bromo-seltzer (CAS 53663-70-0) is a chemical compound with molecular formula C33H41BrKN6NaO16 and molecular weight 918.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium;sodium;N-(4-ethoxyphenyl)acetamide;hydrogen carbonate;N-(4-hydroxyphenyl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione;bromide
Also Known As: Bromo-seltzer, 1,2,4-Propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N-(4-ethoxyphenyl)acetamide, N-(4-hydroxyphenyl)acetamide, potassium bromide (KBr) and sodium hydrogen carbonate, 2-Hydroxy-1,2,4-propanetricarboxylic acid mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N-(4-ethoxyphenyl)acetamide, N-(4-hydroxyphenyl)acetamide, potassium bromide (KBr) and sodium hydrogen carbonate, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N-(4-ethoxyphenyl)acetamide, N-(4-hydroxyphenyl)acetamide, potassium bromide (KBr) and sodium hydrogen carbonate, potassium; sodium; N-(4-ethoxyphenyl)acetamide; hydrogen carbonate; N-(4-hydroxyphenyl)acetamide; 2-hydroxypropane-1,2,3-tricarboxylic acid; 1,3,7-trimethylpurine-2,6-dione; bromide
| Molecular Formula | C33H41BrKN6NaO16 |
|---|---|
| Molecular Weight | 918.13 g/mol |
| LogP | -8.9838 |
| Topological Polar Surface Area | 339.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 918.1297 |
| Heavy Atoms | 58 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 53663-70-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C.CC(=O)NC1=CC=C(C=C1)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(=O)(O)[O-].[Na+].[K+].[Br-] |
| InChIKey | QHFUFLZBJLGDTR-UHFFFAOYSA-L |
Product Overview
Bromo-seltzer (CAS 53663-70-0), with molecular formula C33H41BrKN6NaO16 and molecular weight 918.13 g/mol. IUPAC: potassium;sodium;N-(4-ethoxyphenyl)acetamide;hydrogen carbonate;N-(4-hydroxyphenyl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione;bromide.
Chemical Property Profile of Bromo-seltzer
Property Insights of Bromo-seltzer
The XLogP value of -8.9838 indicates that Bromo-seltzer is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 339.0 Ų indicates high polarity, suggesting Bromo-seltzer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bromo-seltzer has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bromo-seltzer?
The CAS number of Bromo-seltzer is 53663-70-0.
What is the molecular formula of Bromo-seltzer?
The molecular formula of Bromo-seltzer is C33H41BrKN6NaO16.
What is the molecular weight of Bromo-seltzer?
The molecular weight of Bromo-seltzer is 918.13 g/mol.
Where can I buy Bromo-seltzer?
You can request a quote for Bromo-seltzer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromo-seltzer?
Yes, KEHONG BIO provides custom synthesis services for Bromo-seltzer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.