(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one
TL;DR: (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one (CAS 1258513-40-4) is a chemical compound with molecular formula C18H17N3O and molecular weight 291.13718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one
Also Known As: UBS109, 1-Methyl-3,5-bis-pyridin-2-ylmethylene-piperidin-4-one, (3E,5E)-1-methyl-3,5-bis(2-pyridylmethylene)piperidin-4-one, T88314
Technical Specifications
| Molecular Formula | C18H17N3O |
| Molecular Weight | 291.13718 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 46.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.13718 Da |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
| SMILES | CN1C/C(=C\C2=CC=CC=N2)/C(=O)/C(=C/C3=CC=CC=N3)/C1 |
| InChIKey | VCLPNFMJSSBBKX-WFYKWJGLSA-N |
Chemical Property Profile of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one
Property Insights of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one. With a topological polar surface area (TPSA) of 46.1 Ų, (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one has 0 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 (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one?
The CAS number of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one is 1258513-40-4.
What is the molecular formula of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one?
The molecular formula of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one is C18H17N3O.
What is the molecular weight of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one?
The molecular weight of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one is 291.13718 g/mol.
Where can I buy (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one?
You can request a quote for (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one?
Yes, CoreyChem provides custom synthesis services for (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.