安乃近阴离子
TL;DR: 安乃近阴离子 (CAS 5907-38-0) is a chemical compound with molecular formula C13H16N3O4S- and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
安乃近阴离子
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate
Also Known As: metamizole(1-), dipyrone, metamizole anion, DIPYRONHYDRATE, DAPT (GSI-IX)
| Molecular Formula | C13H16N3O4S- |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.08615 |
| Heavy Atoms | 21 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 5907-38-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-] |
| InChIKey | LVWZTYCIRDMTEY-UHFFFAOYSA-M |
Product Overview
安乃近阴离子 (CAS 5907-38-0), with molecular formula C13H16N3O4S- and molecular weight 310.09 g/mol. IUPAC: [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate.
Chemical Property Profile of 安乃近阴离子
Property Insights of 安乃近阴离子
The XLogP value of -0.1 indicates that 安乃近阴离子 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 安乃近阴离子. Following Lipinski's Rule of Five, Metamizole(1-) 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 Metamizole(1-)?
The CAS number of Metamizole(1-) is 5907-38-0.
What is the molecular formula of Metamizole(1-)?
The molecular formula of Metamizole(1-) is C13H16N3O4S-.
What is the molecular weight of Metamizole(1-)?
The molecular weight of Metamizole(1-) is 310.09 g/mol.
Where can I buy Metamizole(1-)?
You can request a quote for Metamizole(1-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metamizole(1-)?
Yes, KEHONG BIO provides custom synthesis services for Metamizole(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.