![2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate structure](/static/products/844/844853-79-8.png)
2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate
TL;DR: 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate (CAS 844853-79-8) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate
Also Known As: 2-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate, 2-[(1,3-benzodioxol-5-ylmethyl)(benzyl)amino]ethyl acetate, 2-((benzo[d][1,3]dioxol-5-ylmethyl)(benzyl)amino)ethyl acetate
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 844853-79-8 |
|---|---|
| SMILES | CC(=O)OCCN(CC1=CC=CC=C1)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | VTWLRDXOMZJVPM-UHFFFAOYSA-N |
Product Overview
2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate (CAS 844853-79-8), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: 2-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate.
Chemical Property Profile of 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate
Property Insights of 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate
The XLogP value of 3.2 indicates that 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate 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 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate?
The CAS number of 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate is 844853-79-8.
What is the molecular formula of 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate?
The molecular formula of 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate is C19H21NO4.
What is the molecular weight of 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate?
The molecular weight of 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate is 327.15 g/mol.
Where can I buy 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate?
You can request a quote for 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[1,3-Benzodioxol-5-ylmethyl(benzyl)amino]ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.