1'-Acetoxychavicol Acetate
TL;DR: 1'-Acetoxychavicol Acetate (CAS 52946-22-2) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate
Also Known As: 1'-Acetoxychavicol acetate, Galangal acetate, 1'-Acetoxychavicol, D,L-1'-Acetoxychavicol acetate, (s)-galangal acetate
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 52946-22-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)[C@H](C=C)OC(=O)C |
| InChIKey | JAMQIUWGGBSIKZ-ZDUSSCGKSA-N |
Product Overview
1'-Acetoxychavicol Acetate (CAS 52946-22-2), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: [4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate.
Chemical Property Profile of 1'-Acetoxychavicol Acetate
Property Insights of 1'-Acetoxychavicol Acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-Acetoxychavicol Acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1'-Acetoxychavicol Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-Acetoxychavicol 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 1'-Acetoxychavicol Acetate?
The CAS number of 1'-Acetoxychavicol Acetate is 52946-22-2.
What is the molecular formula of 1'-Acetoxychavicol Acetate?
The molecular formula of 1'-Acetoxychavicol Acetate is C13H14O4.
What is the molecular weight of 1'-Acetoxychavicol Acetate?
The molecular weight of 1'-Acetoxychavicol Acetate is 234.09 g/mol.
Where can I buy 1'-Acetoxychavicol Acetate?
You can request a quote for 1'-Acetoxychavicol Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-Acetoxychavicol Acetate?
Yes, KEHONG BIO provides custom synthesis services for 1'-Acetoxychavicol Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.