![3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid structure](/static/products/7089/708996-67-2.webp)
3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid
TL;DR: 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid (CAS 708996-67-2) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-ethoxy-2-prop-2-enoxyphenyl)methylamino]benzoic acid
Also Known As: 3-{[2-(allyloxy)-3-ethoxybenzyl]amino}benzoic acid, 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}, 3-[(3-ethoxy-2-prop-2-enoxyphenyl)methylamino]benzoic acid, 3-(2-Allyloxy-3-ethoxy-benzylamino)-benzoic acid, AP-970/42167349
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 3.9604 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 712.263 |
Chemical Identifiers
| CAS Number | 708996-67-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1OCC=C)CNC2=CC=CC(=C2)C(=O)O |
Product Overview
3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid (CAS 708996-67-2), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: 3-[(3-ethoxy-2-prop-2-enoxyphenyl)methylamino]benzoic acid.
Chemical Property Profile of 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid
Property Insights of 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid
The XLogP value of 3.9604 indicates that 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid has 2 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 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid?
The CAS number of 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid is 708996-67-2.
What is the molecular formula of 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid?
The molecular formula of 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid is C19H21NO4.
What is the molecular weight of 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid?
The molecular weight of 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid is 327.15 g/mol.
Where can I buy 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid?
You can request a quote for 3-{[2-(Allyloxy)-3-ethoxybenzyl]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 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(Allyloxy)-3-ethoxybenzyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.