1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate
TL;DR: 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate (CAS 68959-01-3) is a chemical compound with molecular formula C17H16O5 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl 2-ethoxybenzoate
Also Known As: 1,3-benzodioxol-5-ylmethyl 2-ethoxybenzoate, KST-1B7533, 2-ethoxy-benzoic acid piperonyl ester, (2H-1,3-Benzodioxol-5-yl)methyl 2-ethoxybenzoate, Benzoic acid,2-ethoxy-, 1,3-benzodioxol-5-ylmethyl ester
| Molecular Formula | C17H16O5 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.09976 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 68959-01-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)OCC2=CC3=C(C=C2)OCO3 |
| InChIKey | JKWXBIUHICOLEO-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate (CAS 68959-01-3), with molecular formula C17H16O5 and molecular weight 300.10 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 2-ethoxybenzoate.
Chemical Property Profile of 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate
Property Insights of 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate
The XLogP value of 3.4 indicates that 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 2-ethoxybenzoate?
The CAS number of 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate is 68959-01-3.
What is the molecular formula of 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate?
The molecular formula of 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate is C17H16O5.
What is the molecular weight of 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate?
The molecular weight of 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate is 300.10 g/mol.
Where can I buy 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate?
You can request a quote for 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate 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 2-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-ylmethyl 2-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.