N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine (CAS 893571-99-8) is a chemical compound with molecular formula C17H18BrNO4 and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]methanamine
Also Known As: AN-465/42836407, N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine, 1-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]methanamine, 1-(1,3-benzodioxol-5-yl)-N-(3-bromo-4,5-dimethoxybenzyl)methanamine, N-(1,3-benzodioxol-5-ylmethyl)(3-bromo-4,5-dimethoxyphenyl)methanamine
| Molecular Formula | C17H18BrNO4 |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | 3.4848 |
| Topological Polar Surface Area | 48.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.04193 |
| Heavy Atoms | 23 |
| Complexity | 705.233 |
Chemical Identifiers
| CAS Number | 893571-99-8 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNCC2=CC3=C(C=C2)OCO3)Br)OC |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine (CAS 893571-99-8), with molecular formula C17H18BrNO4 and molecular weight 379.04 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]methanamine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine
The XLogP value of 3.4848 indicates that N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.95 Ų, N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine 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 N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine is 893571-99-8.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine is C17H18BrNO4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine is 379.04 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromo-4,5-dimethoxybenzyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.