![4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid structure](/static/products/880/880812-70-4.png)
4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid
TL;DR: 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid (CAS 880812-70-4) is a chemical compound with molecular formula C18H20ClNO4 and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]benzoic acid
Also Known As: AN-465/42885874, 4-{[(3-chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid, 4-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]benzoic acid, 4-[(3-Chloro-4-ethoxy-5-methoxy-benzylamino)-methyl]-benzoic acid, 4-[[(3-chloro-4-ethoxy-5-methoxy-phenyl)methylamino]methyl]benzoic Acid
| Molecular Formula | C18H20ClNO4 |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 3.7353 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 349.1081 |
| Heavy Atoms | 24 |
| Complexity | 700.9101 |
Chemical Identifiers
| CAS Number | 880812-70-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Cl)CNCC2=CC=C(C=C2)C(=O)O)OC |
Product Overview
4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid (CAS 880812-70-4), with molecular formula C18H20ClNO4 and molecular weight 349.11 g/mol. IUPAC: 4-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]benzoic acid.
Chemical Property Profile of 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid
Property Insights of 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid
The XLogP value of 3.7353 indicates that 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}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 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}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 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid?
The CAS number of 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid is 880812-70-4.
What is the molecular formula of 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid?
The molecular formula of 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid is C18H20ClNO4.
What is the molecular weight of 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid?
The molecular weight of 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid is 349.11 g/mol.
Where can I buy 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid?
You can request a quote for 4-{[(3-Chloro-4-ethoxy-5-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-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-Chloro-4-ethoxy-5-methoxybenzyl)amino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.