Pralatrexate
TL;DR: Pralatrexate (CAS 146464-95-1) is a chemical compound with molecular formula C23H23N7O5 and molecular weight 477.17606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid
Also Known As: Pralatrexate, Folotyn, 10-Propargyl-10-deazaaminopterin, pralatrexato, pralatrexatum
Technical Specifications
| Molecular Formula | C23H23N7O5 |
| Molecular Weight | 477.17606 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 477.17606 Da |
| Heavy Atoms | 35 |
| Complexity | 809.0 |
| Solubility | Practically insoluble in shloroform and ethanol |
| SMILES | C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | OGSBUKJUDHAQEA-WMCAAGNKSA-N |
Chemical Property Profile of Pralatrexate
Property Insights of Pralatrexate
The XLogP value of -0.9 indicates that Pralatrexate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting Pralatrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pralatrexate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pralatrexate?
The CAS number of Pralatrexate is 146464-95-1.
What is the molecular formula of Pralatrexate?
The molecular formula of Pralatrexate is C23H23N7O5.
What is the molecular weight of Pralatrexate?
The molecular weight of Pralatrexate is 477.17606 g/mol.
Where can I buy Pralatrexate?
You can request a quote for Pralatrexate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pralatrexate?
Yes, CoreyChem provides custom synthesis services for Pralatrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.