RefChem:325922
TL;DR: RefChem:325922 (CAS 2502-86-5) is a chemical compound with molecular formula C20H24Cl3N3O and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5,6-dichloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]ethyl-dimethylazanium chloride
Also Known As: Benzimidazole, 5,6-dichloro-1-(2-dimethylaminoethyl)-2-(p-ethoxybenzyl)-, hydrochloride, 2-(4-Ethoxybenzyl)-5,6-dichloro-1-(2-dimethylaminoethyl) benzimidazole hydrochloride, 2-[5,6-dichloro-2-(4-ethoxybenzyl)-1H-benzimidazol-1-yl]-N,N-dimethylethanaminium chloride, 2-[5,6-dichloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]ethyl-dimethylazanium chloride, 1H-Benzimidazole-1-ethanamine, 5,6-dichloro-2-[(4-ethoxyphenyl)methyl]-N,N-dimethyl-, monohydrochloride
| Molecular Formula | C20H24Cl3N3O |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 0.48 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.09848 |
| Heavy Atoms | 27 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 2502-86-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CC2=NC3=CC(=C(C=C3N2CC[NH+](C)C)Cl)Cl.[Cl-] |
| InChIKey | AOAYTCWCGSNGTE-UHFFFAOYSA-N |
Product Overview
RefChem:325922 (CAS 2502-86-5), with molecular formula C20H24Cl3N3O and molecular weight 427.10 g/mol. IUPAC: 2-[5,6-dichloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:325922
Property Insights of RefChem:325922
The XLogP value of 0.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:325922. With a topological polar surface area (TPSA) of 31.5 Ų, RefChem:325922 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:325922 has 1 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 RefChem:325922?
The CAS number of RefChem:325922 is 2502-86-5.
What is the molecular formula of RefChem:325922?
The molecular formula of RefChem:325922 is C20H24Cl3N3O.
What is the molecular weight of RefChem:325922?
The molecular weight of RefChem:325922 is 427.10 g/mol.
Where can I buy RefChem:325922?
You can request a quote for RefChem:325922 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325922?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325922 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.