![Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine structure](/static/products/3319/331970-92-4.webp)
Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine
TL;DR: Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine (CAS 331970-92-4) is a chemical compound with molecular formula C16H16BrNO3 and molecular weight 349.03 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-[(5-bromo-2-methoxyphenyl)methyl]methanamine
Also Known As: BAS 01125354, Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine, N-(1,3-benzodioxol-5-ylmethyl)(5-bromo-2-methoxyphenyl)methanamine, 1-(1,3-benzodioxol-5-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]methanamine, 1-(1,3-benzodioxol-5-yl)-N-(5-bromo-2-methoxybenzyl)methanamine
| Molecular Formula | C16H16BrNO3 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 3.4762 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.03137 |
| Heavy Atoms | 21 |
| Complexity | 645.41437 |
Chemical Identifiers
| CAS Number | 331970-92-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)CNCC2=CC3=C(C=C2)OCO3 |
Product Overview
Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine (CAS 331970-92-4), with molecular formula C16H16BrNO3 and molecular weight 349.03 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]methanamine.
Chemical Property Profile of Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine
Property Insights of Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine
The XLogP value of 3.4762 indicates that Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.72 Ų, Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine has 1 hydrogen bond donor(s) and 4 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 Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine?
The CAS number of Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine is 331970-92-4.
What is the molecular formula of Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine?
The molecular formula of Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine is C16H16BrNO3.
What is the molecular weight of Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine?
The molecular weight of Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine is 349.03 g/mol.
Where can I buy Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine?
You can request a quote for Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-ylmethyl-(5-bromo-2-methoxy-benzyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.