2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline
TL;DR: 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline (CAS 355822-10-5) 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.
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
Also Known As: 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline, BAS 01313278, N-{[2,3-bis(methyloxy)phenyl]methyl}-2-bromo-4-methylaniline, AB00089320-01, 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
| Molecular Formula | C16H18BrNO2 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0521 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 355822-10-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NCC2=C(C(=CC=C2)OC)OC)Br |
| InChIKey | YYHBBZIIEPCKMX-UHFFFAOYSA-N |
Product Overview
2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline (CAS 355822-10-5), with molecular formula C16H18BrNO2 and molecular weight 335.05 g/mol. IUPAC: 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline.
Chemical Property Profile of 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline
Property Insights of 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline
The XLogP value of 4.4 indicates that 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-N-(2,3-dimethoxybenzyl)-4-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 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline?
The CAS number of 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline is 355822-10-5.
What is the molecular formula of 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline?
The molecular formula of 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline is C16H18BrNO2.
What is the molecular weight of 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline?
The molecular weight of 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline is 335.05 g/mol.
Where can I buy 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline?
You can request a quote for 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(2,3-dimethoxybenzyl)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.