2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate
TL;DR: 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate (CAS 65401-83-4) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-(3-oxoprop-1-enyl)phenyl] acetate
Also Known As: 4-2-methoxyphenylacetate, 4-acetoxy-3-methoxycinnamaldehyde, 3-methoxy-4-acetoxycinnamaldehyde, (E)-4-acetoxy-3-methoxycinnamaldehyde, 2-Propenal,3-[4-(acetyloxy)-3-methoxyphenyl]-
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.8326 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 421.02698 |
Chemical Identifiers
| CAS Number | 65401-83-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=CC=O)OC |
Product Overview
2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate (CAS 65401-83-4), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: [2-methoxy-4-(3-oxoprop-1-enyl)phenyl] acetate.
Chemical Property Profile of 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate
Property Insights of 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate
The XLogP value of 1.8326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate has 0 hydrogen bond donor(s) and 4 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 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate?
The CAS number of 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate is 65401-83-4.
What is the molecular formula of 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate?
The molecular formula of 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate is C12H12O4.
What is the molecular weight of 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate?
The molecular weight of 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate is 220.07 g/mol.
Where can I buy 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate?
You can request a quote for 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.