Calcium aspirin
TL;DR: Calcium aspirin (CAS 69-46-5) is a chemical compound with molecular formula C18H14CaO8 and molecular weight 398.03146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
阿司匹林钙
calcium bis(2-acetyloxybenzoate)
Also Known As: Aspirin calcium, Calcium aspirin, Aspirin, calcium, Calcascorbin, Calcio
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H14CaO8 |
| Molecular Weight | 398.03146 g/mol |
| XLogP | -0.43 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.03146 Da |
| Heavy Atoms | 27 |
| Complexity | 206.0 |
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].[Ca+2] |
| InChIKey | KRALOLGXHLZTCW-UHFFFAOYSA-L |
Product Description
Applications: Calcium aspirin is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Calcium aspirin is a pharmaceutical intermediate identified by CAS number 69-46-5 and the molecular formula C18H14CaO8 and a molecular weight of 398.03 g/mol. Synonyms include Aspirin calcium and Calcium aspirin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 398.03146 g/mol.
What are the applications of Calcium aspirin?
Calcium aspirin is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to...
Where can I buy Calcium aspirin?
You can request a quote for Calcium aspirin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calcium aspirin?
Yes, CoreyChem provides custom synthesis services for Calcium aspirin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.