1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate
TL;DR: 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate (CAS 103427-67-4) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1,3-benzodioxol-5-yl)-2-phenylethyl] acetate
Also Known As: KST-1A9646, 1-(1,3-benzodioxol-5-yl)-2-phenylethyl acetate, (1-benzo[1,3]dioxol-5-yl-2-phenylethyl) acetate, [1-(1,3-benzodioxol-5-yl)-2-phenylethyl] acetate, (1-BENZO[1,3]DIOXOL-5-YL-2-PHENYL-ETHYL) ACETATE
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 103427-67-4 |
|---|---|
| SMILES | CC(=O)OC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3 |
| InChIKey | GYERXAQDWSNDPW-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate (CAS 103427-67-4), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: [1-(1,3-benzodioxol-5-yl)-2-phenylethyl] acetate.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate
Property Insights of 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate
The XLogP value of 3.4 indicates that 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl 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-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate is 103427-67-4.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate is C17H16O4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate is 284.10 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-2-phenylethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.