4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline
TL;DR: 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline (CAS 418772-82-4) is a chemical compound with molecular formula C16H18BrNO2 and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-methylaniline
Also Known As: 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline, 4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-methylaniline, AT-057/43313928, [(2,3-dimethoxyphenyl)methyl](4-bromo-2-methylphenyl)amine, N-(4-BROMO-2-METHYLPHENYL)-N-(2,3-DIMETHOXYBENZYL)AMINE
| Molecular Formula | C16H18BrNO2 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 4.38682 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0521 |
| Heavy Atoms | 20 |
| Complexity | 599.0259 |
Chemical Identifiers
| CAS Number | 418772-82-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NCC2=C(C(=CC=C2)OC)OC |
Product Overview
4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline (CAS 418772-82-4), with molecular formula C16H18BrNO2 and molecular weight 335.05 g/mol. IUPAC: 4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-methylaniline.
Chemical Property Profile of 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline
Property Insights of 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline
The XLogP value of 4.38682 indicates that 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline 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 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline?
The CAS number of 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline is 418772-82-4.
What is the molecular formula of 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline?
The molecular formula of 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline is C16H18BrNO2.
What is the molecular weight of 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline?
The molecular weight of 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline is 335.05 g/mol.
Where can I buy 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline?
You can request a quote for 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(2,3-dimethoxybenzyl)-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.