![4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid structure](/static/products/4514/451498-56-9.webp)
4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid
TL;DR: 4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid (CAS 451498-56-9) is a chemical compound with molecular formula C21H19NO3 and molecular weight 333.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3-phenoxyphenyl)methylamino]methyl]benzoic acid
Also Known As: ChemDiv3_013291, 4-{[(3-phenoxybenzyl)amino]methyl}benzoic acid, 4-[[(3-phenoxyphenyl)methylamino]methyl]benzoic acid, BRD-K85349522-001-01-1, 4-({[(3-Phenoxyphenyl)methyl]amino}methyl)benzoic acid
| Molecular Formula | C21H19NO3 |
|---|---|
| Molecular Weight | 333.14 g/mol |
| LogP | 4.4669 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.1365 |
| Heavy Atoms | 25 |
| Complexity | 829.2747 |
Chemical Identifiers
| CAS Number | 451498-56-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CNCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid (CAS 451498-56-9), with molecular formula C21H19NO3 and molecular weight 333.14 g/mol. IUPAC: 4-[[(3-phenoxyphenyl)methylamino]methyl]benzoic acid.
Chemical Property Profile of 4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid
Property Insights of 4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid
The XLogP value of 4.4669 indicates that 4-{[(3-Phenoxybenzyl)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-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(3-Phenoxybenzyl)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-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid?
The CAS number of 4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid is 451498-56-9.
What is the molecular formula of 4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid?
The molecular formula of 4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid is C21H19NO3.
What is the molecular weight of 4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid?
The molecular weight of 4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid is 333.14 g/mol.
Where can I buy 4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid?
You can request a quote for 4-{[(3-Phenoxybenzyl)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-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-Phenoxybenzyl)amino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.