Sampirtine
TL;DR: Sampirtine (CAS 115912-76-0) is a chemical compound with molecular formula C12H12FN3 and molecular weight 217.10153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine
Also Known As: Sampirtine, sampirtina, Sampirtine [INN], sampirtinum, 3-[(4-fluorophenyl)methyl]pyridine-2,6-diamine
Technical Specifications
| Molecular Formula | C12H12FN3 |
| Molecular Weight | 217.10153 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.10153 Da |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
| SMILES | C1=CC(=CC=C1CC2=C(N=C(C=C2)N)N)F |
| InChIKey | DUMKNGZKVPFVAR-UHFFFAOYSA-N |
Chemical Property Profile of Sampirtine
Property Insights of Sampirtine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sampirtine. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Sampirtine. Following Lipinski's Rule of Five, Sampirtine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Sampirtine?
The CAS number of Sampirtine is 115912-76-0.
What is the molecular formula of Sampirtine?
The molecular formula of Sampirtine is C12H12FN3.
What is the molecular weight of Sampirtine?
The molecular weight of Sampirtine is 217.10153 g/mol.
Where can I buy Sampirtine?
You can request a quote for Sampirtine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sampirtine?
Yes, CoreyChem provides custom synthesis services for Sampirtine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.