Calcium aspirin
TL;DR: Calcium aspirin (CAS 69-46-5) is a chemical compound with molecular formula C18H14CaO8 and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-acetyloxybenzoate)
Also Known As: Aspirin calcium, Calcium aspirin, Aspirin, calcium, Calcascorbin, Calcio
| Molecular Formula | C18H14CaO8 |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | -0.43 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.03146 |
| Heavy Atoms | 27 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 69-46-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].[Ca+2] |
| InChIKey | KRALOLGXHLZTCW-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium aspirin (CAS 69-46-5), with molecular formula C18H14CaO8 and molecular weight 398.03 g/mol. IUPAC: calcium bis(2-acetyloxybenzoate).
Chemical Property Profile of Calcium aspirin
Property Insights of Calcium aspirin
The XLogP value of -0.43 indicates that Calcium aspirin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium aspirin. Following Lipinski's Rule of Five, Calcium aspirin has 0 hydrogen bond donor(s) and 8 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 Calcium aspirin?
The CAS number of Calcium aspirin is 69-46-5.
What is the molecular formula of Calcium aspirin?
The molecular formula of Calcium aspirin is C18H14CaO8.
What is the molecular weight of Calcium aspirin?
The molecular weight of Calcium aspirin is 398.03 g/mol.
Where can I buy Calcium aspirin?
You can request a quote for Calcium aspirin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium aspirin?
Yes, KEHONG BIO provides custom synthesis services for Calcium aspirin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.