4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate
TL;DR: 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate (CAS 53890-24-7) is a chemical compound with molecular formula C14H16O5 and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1S)-1-acetyloxyprop-2-enyl]-2-methoxyphenyl] acetate
Also Known As: 1'-Acetoxyeugenol, 1'-Acetoxyeugenol acetate, 1'-S-1'-Acetoxyeugenol acetate, 1'delta-1'-acetoxyeugenol acetate, (1 S)-1 -Acetoxyeugenol acetate
| Molecular Formula | C14H16O5 |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.09976 |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 53890-24-7 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)[C@H](C=C)OC(=O)C)OC |
| InChIKey | NKRBAUXTIWONOV-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate (CAS 53890-24-7), with molecular formula C14H16O5 and molecular weight 264.10 g/mol. IUPAC: [4-[(1S)-1-acetyloxyprop-2-enyl]-2-methoxyphenyl] acetate.
Chemical Property Profile of 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate
Property Insights of 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate. Following Lipinski's Rule of Five, 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate has 0 hydrogen bond donor(s) and 5 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 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate?
The CAS number of 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate is 53890-24-7.
What is the molecular formula of 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate?
The molecular formula of 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate is C14H16O5.
What is the molecular weight of 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate?
The molecular weight of 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate is 264.10 g/mol.
Where can I buy 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate?
You can request a quote for 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.