Carbaspirin Calcium
TL;DR: Carbaspirin Calcium (CAS 5749-67-7) is a chemical compound with molecular formula C19H18CaN2O9 and molecular weight 458.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;bis(2-acetyloxybenzoate);urea
Also Known As: Carbasalate calcium, CARBASPIRIN CALCIUM, Calurin, Calpirinsan, Solupsan
| Molecular Formula | C19H18CaN2O9 |
|---|---|
| Molecular Weight | 458.06 g/mol |
| LogP | -1.41 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.0638 |
| Heavy Atoms | 31 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 5749-67-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2] |
| InChIKey | VYMUGTALCSPLDM-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbaspirin Calcium (CAS 5749-67-7), with molecular formula C19H18CaN2O9 and molecular weight 458.06 g/mol. IUPAC: calcium;bis(2-acetyloxybenzoate);urea.
Chemical Property Profile of Carbaspirin Calcium
Property Insights of Carbaspirin Calcium
The XLogP value of -1.41 indicates that Carbaspirin Calcium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Carbaspirin Calcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbaspirin Calcium has 2 hydrogen bond donor(s) and 9 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 Carbaspirin Calcium?
The CAS number of Carbaspirin Calcium is 5749-67-7.
What is the molecular formula of Carbaspirin Calcium?
The molecular formula of Carbaspirin Calcium is C19H18CaN2O9.
What is the molecular weight of Carbaspirin Calcium?
The molecular weight of Carbaspirin Calcium is 458.06 g/mol.
Where can I buy Carbaspirin Calcium?
You can request a quote for Carbaspirin Calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbaspirin Calcium?
Yes, KEHONG BIO provides custom synthesis services for Carbaspirin Calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.