2-Desaminopterin
TL;DR: 2-Desaminopterin (CAS 13909-17-6) is a chemical compound with molecular formula C19H19N7O5 and molecular weight 425.14478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Also Known As: 2-Desaminopterin, n-(4-{[(4-aminopteridin-6-yl)methyl]amino}benzoyl)-l-glutamic acid, (2S)-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, N-(4-{[(4-Aminopteridin-6-yl)methyl]amino}benzoyl)glutamic acid, N-<4-<<(4-aminopteridin-6-yl)methyl>amino>benzoyl>-L-glutamic acid
Technical Specifications
| Molecular Formula | C19H19N7O5 |
| Molecular Weight | 425.14478 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.14478 Da |
| Heavy Atoms | 31 |
| Complexity | 643.0 |
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC=N3)N |
| InChIKey | ACWNWYYLDYBWEG-ZDUSSCGKSA-N |
Chemical Property Profile of 2-Desaminopterin
Property Insights of 2-Desaminopterin
The XLogP value of -1.6 indicates that 2-Desaminopterin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 193.0 Ų indicates high polarity, suggesting 2-Desaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Desaminopterin 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 2-Desaminopterin?
The CAS number of 2-Desaminopterin is 13909-17-6.
What is the molecular formula of 2-Desaminopterin?
The molecular formula of 2-Desaminopterin is C19H19N7O5.
What is the molecular weight of 2-Desaminopterin?
The molecular weight of 2-Desaminopterin is 425.14478 g/mol.
Where can I buy 2-Desaminopterin?
You can request a quote for 2-Desaminopterin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Desaminopterin?
Yes, CoreyChem provides custom synthesis services for 2-Desaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.