2'-Acetoxychalcone
TL;DR: 2'-Acetoxychalcone (CAS 16619-45-7) is a chemical compound with molecular formula C17H14O3 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-phenylprop-2-enoyl)phenyl] acetate
Also Known As: 2'-Acetoxychalcone, 2-Cinnamoylphenyl acetate, [2-(3-phenylprop-2-enoyl)phenyl] acetate, 2-Propen-1-one, 1-[2-(acetyloxy)phenyl]-3-phenyl-, (Z)-, 2-Propen-1-one,1-[2-(acetyloxy)phenyl]-3-phenyl-
| Molecular Formula | C17H14O3 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.0943 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 16619-45-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)C=CC2=CC=CC=C2 |
| InChIKey | CTSJOUULMDGHKP-UHFFFAOYSA-N |
Product Overview
2'-Acetoxychalcone (CAS 16619-45-7), with molecular formula C17H14O3 and molecular weight 266.09 g/mol. IUPAC: [2-(3-phenylprop-2-enoyl)phenyl] acetate.
Chemical Property Profile of 2'-Acetoxychalcone
Property Insights of 2'-Acetoxychalcone
The XLogP value of 3.4 indicates that 2'-Acetoxychalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2'-Acetoxychalcone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Acetoxychalcone 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 2'-Acetoxychalcone?
The CAS number of 2'-Acetoxychalcone is 16619-45-7.
What is the molecular formula of 2'-Acetoxychalcone?
The molecular formula of 2'-Acetoxychalcone is C17H14O3.
What is the molecular weight of 2'-Acetoxychalcone?
The molecular weight of 2'-Acetoxychalcone is 266.09 g/mol.
Where can I buy 2'-Acetoxychalcone?
You can request a quote for 2'-Acetoxychalcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Acetoxychalcone?
Yes, KEHONG BIO provides custom synthesis services for 2'-Acetoxychalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.