1,3-Benzodioxol-5-ylmethyl phenylacetate
TL;DR: 1,3-Benzodioxol-5-ylmethyl phenylacetate (CAS 5457-86-3) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl 2-phenylacetate
Also Known As: 1,3-Benzodioxol-5-ylmethyl phenylacetate, 1,3-benzodioxol-5-ylmethyl 2-phenylacetate, Benzeneacetic acid,1,3-benzodioxol-5-ylmethyl ester, (2H-1,3-Benzodioxol-5-yl)methyl phenylacetate, (2H-1,3-benzodioxol-5-yl)methyl 2-phenylacetate
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 5457-86-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)COC(=O)CC3=CC=CC=C3 |
| InChIKey | DJSPWYDFRGZDHB-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-ylmethyl phenylacetate (CAS 5457-86-3), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 2-phenylacetate.
Chemical Property Profile of 1,3-Benzodioxol-5-ylmethyl phenylacetate
Property Insights of 1,3-Benzodioxol-5-ylmethyl phenylacetate
The XLogP value of 3.2 indicates that 1,3-Benzodioxol-5-ylmethyl 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, 1,3-Benzodioxol-5-ylmethyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ylmethyl 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 1,3-Benzodioxol-5-ylmethyl phenylacetate?
The CAS number of 1,3-Benzodioxol-5-ylmethyl phenylacetate is 5457-86-3.
What is the molecular formula of 1,3-Benzodioxol-5-ylmethyl phenylacetate?
The molecular formula of 1,3-Benzodioxol-5-ylmethyl phenylacetate is C16H14O4.
What is the molecular weight of 1,3-Benzodioxol-5-ylmethyl phenylacetate?
The molecular weight of 1,3-Benzodioxol-5-ylmethyl phenylacetate is 270.09 g/mol.
Where can I buy 1,3-Benzodioxol-5-ylmethyl phenylacetate?
You can request a quote for 1,3-Benzodioxol-5-ylmethyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-ylmethyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-ylmethyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.