(E)-4-(benzylamino)pent-3-en-2-one
TL;DR: (E)-4-(benzylamino)pent-3-en-2-one (CAS 139932-84-6) is a chemical compound with molecular formula C12H15NO and molecular weight 189.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzylamino)pent-3-en-2-one
Also Known As: 2-benzylamino-2-pentene-4-one, 4-Benzylamino-pent-3-en-2-one, 4-(benzylamino)pent-3-en-2-one, 4-BENZYLAMINOPENT-3-EN-2-ONE, 3-Penten-2-one, 4-(benzylamino)-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.11537 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.11537 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | CC(=CC(=O)C)NCC1=CC=CC=C1 |
| InChIKey | SQEZUXJOCKMERB-UHFFFAOYSA-N |
Chemical Property Profile of (E)-4-(benzylamino)pent-3-en-2-one
Property Insights of (E)-4-(benzylamino)pent-3-en-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(benzylamino)pent-3-en-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, (E)-4-(benzylamino)pent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(benzylamino)pent-3-en-2-one has 1 hydrogen bond donor(s) and 2 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)-4-(benzylamino)pent-3-en-2-one?
The CAS number of (E)-4-(benzylamino)pent-3-en-2-one is 139932-84-6.
What is the molecular formula of (E)-4-(benzylamino)pent-3-en-2-one?
The molecular formula of (E)-4-(benzylamino)pent-3-en-2-one is C12H15NO.
What is the molecular weight of (E)-4-(benzylamino)pent-3-en-2-one?
The molecular weight of (E)-4-(benzylamino)pent-3-en-2-one is 189.11537 g/mol.
Where can I buy (E)-4-(benzylamino)pent-3-en-2-one?
You can request a quote for (E)-4-(benzylamino)pent-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-4-(benzylamino)pent-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for (E)-4-(benzylamino)pent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.