trans-4-Acetamidochalcone oxide
TL;DR: trans-4-Acetamidochalcone oxide (CAS 82389-36-4) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(2R,3S)-3-benzoyloxiran-2-yl]phenyl]acetamide
Also Known As: 4-Acetamidochalcone oxide, trans-4-Acetamidochalcone oxide, trans-N-(4-(3-Benzoyloxiranyl)phenyl)acetamide, Acetamide, N-(4-(3-benzoyloxiranyl)phenyl)-, trans-, N-[4-(3-Benzoyloxiran-2-yl)phenyl]ethanimidic acid
| Molecular Formula | C17H15NO3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1052 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 82389-36-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)[C@@H]2[C@H](O2)C(=O)C3=CC=CC=C3 |
| InChIKey | IYLYJEVXGMHMFS-IAGOWNOFSA-N |
Product Overview
trans-4-Acetamidochalcone oxide (CAS 82389-36-4), with molecular formula C17H15NO3 and molecular weight 281.11 g/mol. IUPAC: N-[4-[(2R,3S)-3-benzoyloxiran-2-yl]phenyl]acetamide.
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
Frequently Asked Questions
What is the CAS number of trans-4-Acetamidochalcone oxide?
The CAS number of trans-4-Acetamidochalcone oxide is 82389-36-4.
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 281.11 g/mol.
Where can I buy trans-4-Acetamidochalcone oxide?
You can request a quote for trans-4-Acetamidochalcone oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-4-Acetamidochalcone oxide?
Yes, KEHONG BIO provides custom synthesis services for trans-4-Acetamidochalcone oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.