Sulfamidopyrine
TL;DR: Sulfamidopyrine (CAS 117-38-4) is a chemical compound with molecular formula C12H15N3O4S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid
Also Known As: Sulfamidopyrine, Melaminsulfone, Melubrin, Metamizole EP Impurity E, SULFAMPYRINE
| Molecular Formula | C12H15N3O4S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.07834 |
| Heavy Atoms | 20 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 117-38-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCS(=O)(=O)O |
| InChIKey | VRESBCAKEFFDQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfamidopyrine (CAS 117-38-4), with molecular formula C12H15N3O4S and molecular weight 297.08 g/mol. IUPAC: [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid.
Chemical Property Profile of Sulfamidopyrine
Property Insights of Sulfamidopyrine
The XLogP value of -0.2 indicates that Sulfamidopyrine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfamidopyrine. Following Lipinski's Rule of Five, Sulfamidopyrine has 2 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 Sulfamidopyrine?
The CAS number of Sulfamidopyrine is 117-38-4.
What is the molecular formula of Sulfamidopyrine?
The molecular formula of Sulfamidopyrine is C12H15N3O4S.
What is the molecular weight of Sulfamidopyrine?
The molecular weight of Sulfamidopyrine is 297.08 g/mol.
Where can I buy Sulfamidopyrine?
You can request a quote for Sulfamidopyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfamidopyrine?
Yes, KEHONG BIO provides custom synthesis services for Sulfamidopyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.