Bufferin
TL;DR: Bufferin (CAS 5454-48-8) is a chemical compound with molecular formula C12H14AlMgNO11 and molecular weight 399.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aluminum;magnesium;2-acetyloxybenzoic acid;2-aminoacetate;carbonate;dihydroxide
Also Known As: Bufferin, Aspirin softam, aluminum;magnesium;2-acetyloxybenzoic acid;2-aminoacetate;carbonate;dihydroxide, aluminum magnesium carbonate hydroxide aminoacetate- 2-(acetyloxy)benzoic acid(1:1:1:2:1:1), aluminum; magnesium; 2-acetyloxybenzoic acid; 2-aminoacetate; carbonate; dihydroxide
| Molecular Formula | C12H14AlMgNO11 |
|---|---|
| Molecular Weight | 399.02 g/mol |
| LogP | -4.5571 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.02325 |
| Heavy Atoms | 26 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 5454-48-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)O.C(C(=O)[O-])N.C(=O)([O-])[O-].[OH-].[OH-].[Mg+2].[Al+3] |
| InChIKey | BRJPWEPTDCKYHE-UHFFFAOYSA-I |
Product Overview
Bufferin (CAS 5454-48-8), with molecular formula C12H14AlMgNO11 and molecular weight 399.02 g/mol. IUPAC: aluminum;magnesium;2-acetyloxybenzoic acid;2-aminoacetate;carbonate;dihydroxide.
Chemical Property Profile of Bufferin
Property Insights of Bufferin
The XLogP value of -4.5571 indicates that Bufferin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting Bufferin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bufferin has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bufferin?
The CAS number of Bufferin is 5454-48-8.
What is the molecular formula of Bufferin?
The molecular formula of Bufferin is C12H14AlMgNO11.
What is the molecular weight of Bufferin?
The molecular weight of Bufferin is 399.02 g/mol.
Where can I buy Bufferin?
You can request a quote for Bufferin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufferin?
Yes, KEHONG BIO provides custom synthesis services for Bufferin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.