AF-399/42678230
TL;DR: AF-399/42678230 (CAS 1164459-45-3) is a chemical compound with molecular formula C16H15N5S and molecular weight 309.10483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyrazine
Also Known As: AF-399/42678230, 2-(4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine, (E)-2-(5-(cinnamylthio)-4-methyl-4H-1,2,4-triazol-3-yl)pyrazine, cinnamyl 4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide, 3-((2E)-3-phenylprop-2-enylthio)-4-methyl-5-pyrazin-2-yl-1,2,4-triazole
Technical Specifications
| Molecular Formula | C16H15N5S |
| Molecular Weight | 309.10483 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.10483 Da |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
| SMILES | CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=NC=CN=C3 |
| InChIKey | XZTORESXYKRJHH-VMPITWQZSA-N |
Chemical Property Profile of AF-399/42678230
Property Insights of AF-399/42678230
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42678230. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42678230. Following Lipinski's Rule of Five, AF-399/42678230 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AF-399/42678230?
The CAS number of AF-399/42678230 is 1164459-45-3.
What is the molecular formula of AF-399/42678230?
The molecular formula of AF-399/42678230 is C16H15N5S.
What is the molecular weight of AF-399/42678230?
The molecular weight of AF-399/42678230 is 309.10483 g/mol.
Where can I buy AF-399/42678230?
You can request a quote for AF-399/42678230 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AF-399/42678230?
Yes, CoreyChem provides custom synthesis services for AF-399/42678230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.