![Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate structure](/static/products/6428/64288-20-6.webp)
Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate
TL;DR: Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate (CAS 64288-20-6) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-benzodioxol-5-ylmethylamino)benzoate
Also Known As: ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate, ethyl 4-(1,3-benzodioxol-5-ylmethylamino)benzoate, Ethyl 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)benzoate, ETHYL 4-{[(2H-1,3-BENZODIOXOL-5-YL)METHYL]AMINO}BENZOATE, ETHYL 4-((1,3-BENZODIOXOL-5-YLMETHYL)AMINO)BENZOATE
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.2041 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 666.8592 |
Chemical Identifiers
| CAS Number | 64288-20-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate (CAS 64288-20-6), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)benzoate.
Chemical Property Profile of Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate
Property Insights of Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate
The XLogP value of 3.2041 indicates that Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate has 1 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 Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate?
The CAS number of Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate is 64288-20-6.
What is the molecular formula of Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate?
The molecular formula of Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate is C17H17NO4.
What is the molecular weight of Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate?
The molecular weight of Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate is 299.12 g/mol.
Where can I buy Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate?
You can request a quote for Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(1,3-benzodioxol-5-ylmethyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.