trans-4'-Acetamidochalcone oxide
TL;DR: trans-4'-Acetamidochalcone oxide (CAS 82389-38-6) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[(2S,3R)-3-phenyloxirane-2-carbonyl]phenyl]acetamide
Also Known As: 4'-Acetamidochalcone oxide, trans-4'-Acetamidochalcone oxide, 1-18-00-00575 (Beilstein Handbook Reference), trans-N-(4-((3-Phenyloxiranyl)carbonyl)phenyl)acetamide, ACETAMIDE, N-(4-((3-PHENYLOXIRANYL)CARBONYL)PHENYL)-, trans-
Technical Specifications
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.1052 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1052 Da |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](O2)C3=CC=CC=C3 |
| InChIKey | JRWVCWTYUGBNOH-IAGOWNOFSA-N |
Chemical Property Profile of trans-4'-Acetamidochalcone oxide
Property Insights of trans-4'-Acetamidochalcone oxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-4'-Acetamidochalcone oxide. With a topological polar surface area (TPSA) of 58.7 Ų, trans-4'-Acetamidochalcone oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-4'-Acetamidochalcone oxide 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 trans-4'-Acetamidochalcone oxide?
The CAS number of trans-4'-Acetamidochalcone oxide is 82389-38-6.
What is the molecular formula of trans-4'-Acetamidochalcone oxide?
The molecular formula of trans-4'-Acetamidochalcone oxide is C17H15NO3.
What is the molecular weight of trans-4'-Acetamidochalcone oxide?
The molecular weight of trans-4'-Acetamidochalcone oxide is 281.1052 g/mol.
Where can I buy trans-4'-Acetamidochalcone oxide?
You can request a quote for trans-4'-Acetamidochalcone oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-4'-Acetamidochalcone oxide?
Yes, CoreyChem provides custom synthesis services for trans-4'-Acetamidochalcone oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.