安乃近
TL;DR: 安乃近 (CAS 54017-59-3) is a chemical compound with molecular formula C13H16N3NaO4S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
安乃近
sodium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate
Also Known As: dipyrone, Metamizole sodium, Analgin, sulpyrine, Methylmelubrin
| Molecular Formula | C13H16N3NaO4S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | -2.57268 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.07593 |
| Heavy Atoms | 22 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 54017-59-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+] |
| InChIKey | DJGAAPFSPWAYTJ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
安乃近 (CAS 54017-59-3), with molecular formula C13H16N3NaO4S and molecular weight 333.08 g/mol. IUPAC: sodium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate.
Chemical Property Profile of 安乃近
Property Insights of 安乃近
The XLogP value of -2.57268 indicates that 安乃近 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 安乃近. Following Lipinski's Rule of Five, 安乃近 has 0 hydrogen bond donor(s) and 6 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 安乃近?
The CAS number of 安乃近 is 54017-59-3.
What is the molecular formula of 安乃近?
The molecular formula of 安乃近 is C13H16N3NaO4S.
What is the molecular weight of 安乃近?
The molecular weight of 安乃近 is 333.08 g/mol.
Where can I buy 安乃近?
You can request a quote for 安乃近 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 安乃近?
Yes, KEHONG BIO provides custom synthesis services for 安乃近 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.