![2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid structure](/static/products/887/887581-85-3.png)
2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid
TL;DR: 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid (CAS 887581-85-3) is a chemical compound with molecular formula C17H19NO5 and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid
Also Known As: 2-[(3,4,5-trimethoxybenzyl)amino]benzoic acid, AN-970/40920811, 2-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid, 2-((3,4,5-Trimethoxybenzyl)amino)benzoic acid
| Molecular Formula | C17H19NO5 |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 3.0227 |
| Topological Polar Surface Area | 77.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.1263 |
| Heavy Atoms | 23 |
| Complexity | 674.12823 |
Chemical Identifiers
| CAS Number | 887581-85-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CNC2=CC=CC=C2C(=O)O |
Product Overview
2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid (CAS 887581-85-3), with molecular formula C17H19NO5 and molecular weight 317.13 g/mol. IUPAC: 2-[(3,4,5-trimethoxyphenyl)methylamino]benzoic acid.
Chemical Property Profile of 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid
Property Insights of 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid
The XLogP value of 3.0227 indicates that 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 5 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-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid?
The CAS number of 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid is 887581-85-3.
What is the molecular formula of 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid?
The molecular formula of 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid is C17H19NO5.
What is the molecular weight of 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid?
The molecular weight of 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid is 317.13 g/mol.
Where can I buy 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid?
You can request a quote for 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4,5-Trimethoxybenzyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.