4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride
TL;DR: 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride (CAS 1028824-38-5) is a chemical compound with molecular formula C16H17Cl2NO3 and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
Also Known As: 4-(((5-chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride, 4-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]benzoic acid hydrochloride, 4-[[(5-chloro-2-methoxy-phenyl)methylamino]methyl]benzoic Acid Hydrochloride
| Molecular Formula | C16H17Cl2NO3 |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 3.7584 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.05856 |
| Heavy Atoms | 22 |
| Complexity | 629.7881 |
Chemical Identifiers
| CAS Number | 1028824-38-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)CNCC2=CC=C(C=C2)C(=O)O.Cl |
Product Overview
4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride (CAS 1028824-38-5), with molecular formula C16H17Cl2NO3 and molecular weight 341.06 g/mol. IUPAC: 4-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride.
Chemical Property Profile of 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride
Property Insights of 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride
The XLogP value of 3.7584 indicates that 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride 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-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride 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-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride?
The CAS number of 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride is 1028824-38-5.
What is the molecular formula of 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride?
The molecular formula of 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride is C16H17Cl2NO3.
What is the molecular weight of 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride?
The molecular weight of 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride is 341.06 g/mol.
Where can I buy 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride?
You can request a quote for 4-(((5-Chloro-2-methoxybenzyl)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-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(((5-Chloro-2-methoxybenzyl)amino)methyl)benzoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.