(2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime
TL;DR: (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime (CAS 1357560-63-4) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino] acetate
Also Known As: (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime, (E)-[(3E)-4-PHENYLBUT-3-EN-2-YLIDENE]AMINO ACETATE, (1E,3E)-2-methyl-4-phenyl-1-azabuta-1,3-dienyl acetate, 1-({[(2E,3E)-4-phenylbut-3-en-2-ylidene]amino}oxy)ethanone
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.6388 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 379.8684 |
Chemical Identifiers
| CAS Number | 1357560-63-4 |
|---|---|
| SMILES | C/C(=N\OC(=O)C)/C=C/C1=CC=CC=C1 |
Product Overview
(2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime (CAS 1357560-63-4), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: [(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino] acetate.
Chemical Property Profile of (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime
Property Insights of (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime
The XLogP value of 2.6388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime. With a topological polar surface area (TPSA) of 38.66 Ų, (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime has 0 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 (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime?
The CAS number of (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime is 1357560-63-4.
What is the molecular formula of (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime?
The molecular formula of (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime is C12H13NO2.
What is the molecular weight of (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime?
The molecular weight of (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime is 203.09 g/mol.
Where can I buy (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime?
You can request a quote for (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime?
Yes, KEHONG BIO provides custom synthesis services for (2E,3E)-4-phenylbut-3-en-2-one O-acetyl oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.