1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate
TL;DR: 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate (CAS 93236-53-4) is a chemical compound with molecular formula C20H26Cl2N2O5 and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(2,4-dichlorophenyl)methoxy]octyl]imidazole;oxalic acid
Also Known As: 1-(2- imidazoleoxalate, RS 37367, 1-(2-(2,4-DICHLOROBENZYLOXY)-N-OCTYL)IMIDAZOLE OXALATE, 1-(2-(2,4-dichlorobenzyloxy)-n-octyl)imidazole, dl-1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate
| Molecular Formula | C20H26Cl2N2O5 |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 4.9013 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 444.1219 |
| Heavy Atoms | 29 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 93236-53-4 |
|---|---|
| SMILES | CCCCCCC(CN1C=CN=C1)OCC2=C(C=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O |
| InChIKey | CLEDFOUEAGECMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate (CAS 93236-53-4), with molecular formula C20H26Cl2N2O5 and molecular weight 444.12 g/mol. IUPAC: 1-[2-[(2,4-dichlorophenyl)methoxy]octyl]imidazole;oxalic acid.
Chemical Property Profile of 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate
Property Insights of 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate
The XLogP value of 4.9013 indicates that 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate. Following Lipinski's Rule of Five, 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate has 2 hydrogen bond donor(s) and 6 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 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate?
The CAS number of 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate is 93236-53-4.
What is the molecular formula of 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate?
The molecular formula of 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate is C20H26Cl2N2O5.
What is the molecular weight of 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate?
The molecular weight of 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate is 444.12 g/mol.
Where can I buy 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate?
You can request a quote for 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(2,4-Dichlorobenzyloxy)-n-octyl)imidazole oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.