2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine
TL;DR: 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine (CAS 418775-72-1) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
Also Known As: Berberine Impurity 30, AB00088059-01, 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine, 2-(1,3-benzodioxol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine, 2-benzo[1,3]dioxol-5-yl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 2.7648 |
| Topological Polar Surface Area | 48.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 672.06635 |
Chemical Identifiers
| CAS Number | 418775-72-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3)OC |
Product Overview
2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine (CAS 418775-72-1), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine
Property Insights of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine
The XLogP value of 2.7648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine. With a topological polar surface area (TPSA) of 48.95 Ų, 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine 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 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine?
The CAS number of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine is 418775-72-1.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine is C18H21NO4.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine is 315.15 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine 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-yl)-N-(3,4-dimethoxybenzyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.