4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride
TL;DR: 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride (CAS 1050419-91-4) is a chemical compound with molecular formula C18H22ClNO5 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
Also Known As: 4-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]benzoic Acid Hydrochloride, 4-(((2,4,5-trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride
| Molecular Formula | C18H22ClNO5 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 3.1222 |
| Topological Polar Surface Area | 77.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.11865 |
| Heavy Atoms | 25 |
| Complexity | 703.3578 |
Chemical Identifiers
| CAS Number | 1050419-91-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CNCC2=CC=C(C=C2)C(=O)O)OC)OC.Cl |
Product Overview
4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride (CAS 1050419-91-4), with molecular formula C18H22ClNO5 and molecular weight 367.12 g/mol. IUPAC: 4-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride.
Chemical Property Profile of 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride
Property Insights of 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride
The XLogP value of 3.1222 indicates that 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride 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-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride. Following Lipinski's Rule of Five, 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride 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-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride?
The CAS number of 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride is 1050419-91-4.
What is the molecular formula of 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride?
The molecular formula of 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride is C18H22ClNO5.
What is the molecular weight of 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride?
The molecular weight of 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride is 367.12 g/mol.
Where can I buy 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride?
You can request a quote for 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(((2,4,5-Trimethoxybenzyl)amino)methyl)benzoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.