乙酸异丁香酚酯
TL;DR: 乙酸异丁香酚酯 (CAS 93-29-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸异丁香酚酯
(2-methoxy-4-prop-1-enylphenyl) acetate
Also Known As: Isoeugenyl acetate, Acetylisoeugenol, Isoeugenol acetate, Acetisoeugenol, Acetoisoeugenol
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
| Solubility | Insoluble in water, soluble in oil |
Chemical Identifiers
| CAS Number | 93-29-8 |
|---|---|
| SMILES | CC=CC1=CC(=C(C=C1)OC(=O)C)OC |
| InChIKey | IUSBVFZKQJGVEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸异丁香酚酯 (CAS 93-29-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: (2-methoxy-4-prop-1-enylphenyl) acetate.
Chemical Property Profile of 乙酸异丁香酚酯
Property Insights of 乙酸异丁香酚酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸异丁香酚酯. With a topological polar surface area (TPSA) of 35.5 Ų, 乙酸异丁香酚酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸异丁香酚酯 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 乙酸异丁香酚酯?
The CAS number of 乙酸异丁香酚酯 is 93-29-8.
What is the molecular formula of 乙酸异丁香酚酯?
The molecular formula of 乙酸异丁香酚酯 is C12H14O3.
What is the molecular weight of 乙酸异丁香酚酯?
The molecular weight of 乙酸异丁香酚酯 is 206.09 g/mol.
Where can I buy 乙酸异丁香酚酯?
You can request a quote for 乙酸异丁香酚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸异丁香酚酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸异丁香酚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.