Pyrimethamine 3-N-oxide
TL;DR: Pyrimethamine 3-N-oxide (CAS 65104-93-0) is a chemical compound with molecular formula C13H21N3O6S2 and molecular weight 379.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1,3-benzothiazole-6-sulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol
Also Known As: Pyrimethamine 3-N-oxide, 6-Benzothiazolesulfonic acid, 2-amino-, triethanolamine salt, 2-amino-1,3-benzothiazole-6-sulfonic acid- 2,2',2''-nitrilotriethanol(1:1), 6-Benzothiazolesulfonic acid, 2-amino-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 6-Benzothiazolesulfonic acid, 2-amino-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
| Molecular Formula | C13H21N3O6S2 |
|---|---|
| Molecular Weight | 379.09 g/mol |
| LogP | -0.61 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.0872 |
| Heavy Atoms | 24 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 65104-93-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)O)SC(=N2)N.C(CO)N(CCO)CCO |
| InChIKey | JMURPADRAYPUQR-UHFFFAOYSA-N |
Product Overview
Pyrimethamine 3-N-oxide (CAS 65104-93-0), with molecular formula C13H21N3O6S2 and molecular weight 379.09 g/mol. IUPAC: 2-amino-1,3-benzothiazole-6-sulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of Pyrimethamine 3-N-oxide
Property Insights of Pyrimethamine 3-N-oxide
The XLogP value of -0.61 indicates that Pyrimethamine 3-N-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting Pyrimethamine 3-N-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrimethamine 3-N-oxide has 5 hydrogen bond donor(s) and 10 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 Pyrimethamine 3-N-oxide?
The CAS number of Pyrimethamine 3-N-oxide is 65104-93-0.
What is the molecular formula of Pyrimethamine 3-N-oxide?
The molecular formula of Pyrimethamine 3-N-oxide is C13H21N3O6S2.
What is the molecular weight of Pyrimethamine 3-N-oxide?
The molecular weight of Pyrimethamine 3-N-oxide is 379.09 g/mol.
Where can I buy Pyrimethamine 3-N-oxide?
You can request a quote for Pyrimethamine 3-N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimethamine 3-N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyrimethamine 3-N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.