1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate
TL;DR: 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate (CAS 20306-21-2) is a chemical compound with molecular formula C19H20O4 and molecular weight 312.14 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-methylpropyl] 2-phenylacetate
Also Known As: 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate, [1-(1,3-benzodioxol-5-yl)-2-methylpropyl] 2-phenylacetate
| Molecular Formula | C19H20O4 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.13617 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 20306-21-2 |
|---|---|
| SMILES | CC(C)C(C1=CC2=C(C=C1)OCO2)OC(=O)CC3=CC=CC=C3 |
| InChIKey | BANKNGDTEXVLOE-UHFFFAOYSA-N |
Product Overview
1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate (CAS 20306-21-2), with molecular formula C19H20O4 and molecular weight 312.14 g/mol. IUPAC: [1-(1,3-benzodioxol-5-yl)-2-methylpropyl] 2-phenylacetate.
Chemical Property Profile of 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate
Property Insights of 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate
The XLogP value of 4.4 indicates that 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl 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)-2-methylpropyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate 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-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate?
The CAS number of 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate is 20306-21-2.
What is the molecular formula of 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate?
The molecular formula of 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate is C19H20O4.
What is the molecular weight of 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate?
The molecular weight of 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate is 312.14 g/mol.
Where can I buy 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate?
You can request a quote for 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl 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)-2-methylpropyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2H-1,3-Benzodioxol-5-yl)-2-methylpropyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.