N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine
TL;DR: N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine (CAS 893575-82-1) is a chemical compound with molecular formula C13H20BrNO2 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-1-amine
Also Known As: N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine, (3-Bromo-4,5-dimethoxy-benzyl)-butyl-amine, N-(3-bromo-4,5-dimethoxybenzyl)butan-1-amine, N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-1-amine, AN-465/42519174
| Molecular Formula | C13H20BrNO2 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 3.356 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.06775 |
| Heavy Atoms | 17 |
| Complexity | 355.51785 |
Chemical Identifiers
| CAS Number | 893575-82-1 |
|---|---|
| SMILES | CCCCNCC1=CC(=C(C(=C1)Br)OC)OC |
Product Overview
N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine (CAS 893575-82-1), with molecular formula C13H20BrNO2 and molecular weight 301.07 g/mol. IUPAC: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-1-amine.
Chemical Property Profile of N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine
Property Insights of N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine
The XLogP value of 3.356 indicates that N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine has 1 hydrogen bond donor(s) and 3 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-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine?
The CAS number of N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine is 893575-82-1.
What is the molecular formula of N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine?
The molecular formula of N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine is C13H20BrNO2.
What is the molecular weight of N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine?
The molecular weight of N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine is 301.07 g/mol.
Where can I buy N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine?
You can request a quote for N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromo-4,5-dimethoxybenzyl)-N-butylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.