![4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline structure](/static/products/1619/161957-97-7.webp)
4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
TL;DR: 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline (CAS 161957-97-7) is a chemical compound with molecular formula C16H18BrNO3 and molecular weight 351.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
Also Known As: BAS 01125515, 4-bromo-N-(3,4,5-trimethoxybenzyl)aniline, 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline, (4-Bromo-phenyl)-(3,4,5-trimethoxy-benzyl)-amine, (4-bromophenyl)[(3,4,5-trimethoxyphenyl)methyl]amine
| Molecular Formula | C16H18BrNO3 |
|---|---|
| Molecular Weight | 351.05 g/mol |
| LogP | 4.087 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.047 |
| Heavy Atoms | 21 |
| Complexity | 573.96625 |
Chemical Identifiers
| CAS Number | 161957-97-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)Br |
Product Overview
4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline (CAS 161957-97-7), with molecular formula C16H18BrNO3 and molecular weight 351.05 g/mol. IUPAC: 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline.
Chemical Property Profile of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
Property Insights of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
The XLogP value of 4.087 indicates that 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.72 Ų, 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline 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 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline?
The CAS number of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline is 161957-97-7.
What is the molecular formula of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline?
The molecular formula of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline is C16H18BrNO3.
What is the molecular weight of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline?
The molecular weight of 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline is 351.05 g/mol.
Where can I buy 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline?
You can request a quote for 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline 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-[(3,4,5-trimethoxyphenyl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.