![4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid structure](/static/products/7130/713080-52-5.webp)
4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid
TL;DR: 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid (CAS 713080-52-5) is a chemical compound with molecular formula C23H20ClN3O3 and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methylamino]benzoic acid
Also Known As: AE-848/42548271, 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid, 4-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methylamino]benzoic acid, 4-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methylazaniumyl]benzoate, 4-(((1-(2-(2-chlorophenoxy)ethyl)-1H-benzo[d]imidazol-2-yl)methyl)amino)benzoic acid
| Molecular Formula | C23H20ClN3O3 |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 5.079 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.11932 |
| Heavy Atoms | 30 |
| Complexity | 1172.0107 |
Chemical Identifiers
| CAS Number | 713080-52-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CCOC3=CC=CC=C3Cl)CNC4=CC=C(C=C4)C(=O)O |
Product Overview
4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid (CAS 713080-52-5), with molecular formula C23H20ClN3O3 and molecular weight 421.12 g/mol. IUPAC: 4-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methylamino]benzoic acid.
Chemical Property Profile of 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid
Property Insights of 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid
The XLogP value of 5.079 indicates that 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid?
The CAS number of 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid is 713080-52-5.
What is the molecular formula of 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid?
The molecular formula of 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid is C23H20ClN3O3.
What is the molecular weight of 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid?
The molecular weight of 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid is 421.12 g/mol.
Where can I buy 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid?
You can request a quote for 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)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 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[({1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}methyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.