Pyrimethamine isethionate
TL;DR: Pyrimethamine isethionate (CAS 17529-98-5) is a chemical compound with molecular formula C14H19ClN4O4S and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;2-hydroxyethanesulfonic acid
Also Known As: Pyrimethamine isethionate, 2-hydroxyethanesulfonic acid- 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine(1:1), 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; 2-hydroxyethanesulfonic acid, 2-Hydroxyethane-1-sulfonic acid--5-(4-chlorophenyl)-6-ethyl-2-imino-2,3-dihydropyrimidin-4-amine (1/1), 2-Hydroxyethanesulphonic acid, compound with 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (1:1)
| Molecular Formula | C14H19ClN4O4S |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 1.3903 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.08154 |
| Heavy Atoms | 24 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 17529-98-5 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C(CS(=O)(=O)O)O |
| InChIKey | DFMXZKTVDQNLAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimethamine isethionate (CAS 17529-98-5), with molecular formula C14H19ClN4O4S and molecular weight 374.08 g/mol. IUPAC: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;2-hydroxyethanesulfonic acid.
Chemical Property Profile of Pyrimethamine isethionate
Property Insights of Pyrimethamine isethionate
The XLogP value of 1.3903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimethamine isethionate. The TPSA of 161.0 Ų indicates high polarity, suggesting Pyrimethamine isethionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrimethamine isethionate has 4 hydrogen bond donor(s) and 8 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 isethionate?
The CAS number of Pyrimethamine isethionate is 17529-98-5.
What is the molecular formula of Pyrimethamine isethionate?
The molecular formula of Pyrimethamine isethionate is C14H19ClN4O4S.
What is the molecular weight of Pyrimethamine isethionate?
The molecular weight of Pyrimethamine isethionate is 374.08 g/mol.
Where can I buy Pyrimethamine isethionate?
You can request a quote for Pyrimethamine isethionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimethamine isethionate?
Yes, KEHONG BIO provides custom synthesis services for Pyrimethamine isethionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.