(E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one
TL;DR: (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one (CAS 312505-96-7) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-amino-4,4-dimethyl-1-pyridin-2-ylpent-1-en-3-one
Also Known As: BIM-0004337.P001, 1-amino-4,4-dimethyl-1-(2-pyridinyl)-1-penten-3-one, (E)-1-amino-4,4-dimethyl-1-pyridin-2-ylpent-1-en-3-one, (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one
Technical Specifications
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.12627 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.12627 Da |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
| SMILES | CC(C)(C)C(=O)/C=C(\C1=CC=CC=N1)/N |
| InChIKey | OLTRVMIVQDZHCG-CMDGGOBGSA-N |
Chemical Property Profile of (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one
Property Insights of (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one. With a topological polar surface area (TPSA) of 56.0 Ų, (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one has 1 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 (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one?
The CAS number of (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one is 312505-96-7.
What is the molecular formula of (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one?
The molecular formula of (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one is C12H16N2O.
What is the molecular weight of (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one?
The molecular weight of (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one is 204.12627 g/mol.
Where can I buy (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one?
You can request a quote for (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one?
Yes, CoreyChem provides custom synthesis services for (E)-1-amino-4,4-dimethyl-1-(pyridin-2-yl)pent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.