1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate
TL;DR: 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate (CAS 7702-70-7) is a chemical compound with molecular formula C24H22O4 and molecular weight 374.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1,3-benzodioxol-5-yl)-3-phenylpropyl] 2-phenylacetate
Also Known As: 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate, [1-(1,3-benzodioxol-5-yl)-3-phenylpropyl] 2-phenylacetate
| Molecular Formula | C24H22O4 |
|---|---|
| Molecular Weight | 374.15 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.1518 |
| Heavy Atoms | 28 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 7702-70-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CCC3=CC=CC=C3)OC(=O)CC4=CC=CC=C4 |
| InChIKey | VXEZPAHKCXKVDU-UHFFFAOYSA-N |
Product Overview
1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate (CAS 7702-70-7), with molecular formula C24H22O4 and molecular weight 374.15 g/mol. IUPAC: [1-(1,3-benzodioxol-5-yl)-3-phenylpropyl] 2-phenylacetate.
Chemical Property Profile of 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate
Property Insights of 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate
The XLogP value of 5.4 indicates that 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate 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-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate?
The CAS number of 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate is 7702-70-7.
What is the molecular formula of 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate?
The molecular formula of 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate is C24H22O4.
What is the molecular weight of 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate?
The molecular weight of 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate is 374.15 g/mol.
Where can I buy 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate?
You can request a quote for 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2H-1,3-Benzodioxol-5-yl)-3-phenylpropyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.