Alniditan
TL;DR: Alniditan (CAS 152317-89-0) is a chemical compound with molecular formula C17H26N4O and molecular weight 302.21066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
Also Known As: Alniditan, alniditanum, Pasmigren, [3H]alniditan, ALNITIDAN
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H26N4O |
| Molecular Weight | 302.21066 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.21066 Da |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
| SMILES | C1CNC(=NC1)NCCCNC[C@H]2CCC3=CC=CC=C3O2 |
| InChIKey | QVSXOXCYXPQXMF-OAHLLOKOSA-N |
Chemical Property Profile of Alniditan
Property Insights of Alniditan
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alniditan. With a topological polar surface area (TPSA) of 57.7 Ų, Alniditan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alniditan has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Alniditan?
The CAS number of Alniditan is 152317-89-0.
What is the molecular formula of Alniditan?
The molecular formula of Alniditan is C17H26N4O.
What is the molecular weight of Alniditan?
The molecular weight of Alniditan is 302.21066 g/mol.
Where can I buy Alniditan?
You can request a quote for Alniditan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alniditan?
Yes, CoreyChem provides custom synthesis services for Alniditan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.