Metamizole calcium
TL;DR: Metamizole calcium (CAS 51996-59-9) is a chemical compound with molecular formula C26H32CaN6O8S2 and molecular weight 660.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis([(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylamino]methanesulfonate)
Also Known As: Metamizole calcium, calcium bis({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)methyl]amino}methanesulfonate), calcium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylamino]methanesulfonate, Bis[[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol)-4-yl]methylamino]methanesulfonic acid]calcium salt, Calcium ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methanesulphonate
| Molecular Formula | C26H32CaN6O8S2 |
|---|---|
| Molecular Weight | 660.13 g/mol |
| LogP | -0.23 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 660.1349 |
| Heavy Atoms | 43 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 51996-59-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCS(=O)(=O)[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCS(=O)(=O)[O-].[Ca+2] |
| InChIKey | BBUFFKMKXSRSJH-UHFFFAOYSA-L |
Product Overview
Metamizole calcium (CAS 51996-59-9), with molecular formula C26H32CaN6O8S2 and molecular weight 660.13 g/mol. IUPAC: calcium bis([(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylamino]methanesulfonate).
Chemical Property Profile of Metamizole calcium
Property Insights of Metamizole calcium
The XLogP value of -0.23 indicates that Metamizole 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 Metamizole calcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Metamizole calcium has 2 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 Metamizole calcium?
The CAS number of Metamizole calcium is 51996-59-9.
What is the molecular formula of Metamizole calcium?
The molecular formula of Metamizole calcium is C26H32CaN6O8S2.
What is the molecular weight of Metamizole calcium?
The molecular weight of Metamizole calcium is 660.13 g/mol.
Where can I buy Metamizole calcium?
You can request a quote for Metamizole calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metamizole calcium?
Yes, KEHONG BIO provides custom synthesis services for Metamizole calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.