![4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid structure](/static/products/881/881445-63-2.png)
4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid
TL;DR: 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid (CAS 881445-63-2) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(2,3,4-trimethoxyphenyl)methylamino]benzoic acid
Also Known As: 4-methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid, 4-methyl-3-[(2,3,4-trimethoxyphenyl)methylamino]benzoic Acid, AN-465/43369244, 4-methyl-3-((2,3,4-trimethoxybenzyl)amino)benzoic acid
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 3.33112 |
| Topological Polar Surface Area | 77.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 742.42926 |
Chemical Identifiers
| CAS Number | 881445-63-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NCC2=C(C(=C(C=C2)OC)OC)OC |
Product Overview
4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid (CAS 881445-63-2), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: 4-methyl-3-[(2,3,4-trimethoxyphenyl)methylamino]benzoic acid.
Chemical Property Profile of 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid
Property Insights of 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid
The XLogP value of 3.33112 indicates that 4-Methyl-3-[(2,3,4-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 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-Methyl-3-[(2,3,4-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 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid?
The CAS number of 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid is 881445-63-2.
What is the molecular formula of 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid?
The molecular formula of 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid is C18H21NO5.
What is the molecular weight of 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid?
The molecular weight of 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid is 331.14 g/mol.
Where can I buy 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid?
You can request a quote for 4-Methyl-3-[(2,3,4-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 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-[(2,3,4-trimethoxybenzyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.