![4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid structure](/static/products/7752/775293-69-1.webp)
4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid
TL;DR: 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid (CAS 775293-69-1) 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.
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]benzoic acid
Also Known As: 4-{[(5-bromo-2-methoxybenzyl)amino]methyl}benzoic acid, AN-465/42885890, 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]benzoic acid, 4-[(5-Bromo-2-methoxy-benzylamino)-methyl]-benzoic acid
| Molecular Formula | C16H16BrNO3 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 3.4457 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.03137 |
| Heavy Atoms | 21 |
| Complexity | 625.91925 |
Chemical Identifiers
| CAS Number | 775293-69-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)CNCC2=CC=C(C=C2)C(=O)O |
Product Overview
4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid (CAS 775293-69-1), with molecular formula C16H16BrNO3 and molecular weight 349.03 g/mol. IUPAC: 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]benzoic acid.
Chemical Property Profile of 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid
Property Insights of 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid
The XLogP value of 3.4457 indicates that 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid has 2 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-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid?
The CAS number of 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid is 775293-69-1.
What is the molecular formula of 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid?
The molecular formula of 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid is C16H16BrNO3.
What is the molecular weight of 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid?
The molecular weight of 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid is 349.03 g/mol.
Where can I buy 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid?
You can request a quote for 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(5-Bromo-2-methoxybenzyl)amino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.