Pyrantel citrate salt
TL;DR: Pyrantel citrate salt (CAS 17076-90-3) is a chemical compound with molecular formula C17H22N2O7S and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine
Also Known As: Pyrantel citrate salt, 1,4,5,6-Tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)pyrimidine citrate, 1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine citrate, 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
| Molecular Formula | C17H22N2O7S |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 1.25 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.11478 |
| Heavy Atoms | 27 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 17076-90-3 |
|---|---|
| SMILES | CN1CCCN=C1C=CC2=CC=CS2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | YJGGCARNRYGSPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrantel citrate salt (CAS 17076-90-3), with molecular formula C17H22N2O7S and molecular weight 398.11 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine.
Chemical Property Profile of Pyrantel citrate salt
Property Insights of Pyrantel citrate salt
The XLogP value of 1.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrantel citrate salt. The TPSA of 176.0 Ų indicates high polarity, suggesting Pyrantel citrate salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrantel citrate salt has 4 hydrogen bond donor(s) and 9 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 Pyrantel citrate salt?
The CAS number of Pyrantel citrate salt is 17076-90-3.
What is the molecular formula of Pyrantel citrate salt?
The molecular formula of Pyrantel citrate salt is C17H22N2O7S.
What is the molecular weight of Pyrantel citrate salt?
The molecular weight of Pyrantel citrate salt is 398.11 g/mol.
Where can I buy Pyrantel citrate salt?
You can request a quote for Pyrantel citrate salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrantel citrate salt?
Yes, KEHONG BIO provides custom synthesis services for Pyrantel citrate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.