2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate
TL;DR: 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate (CAS 83337-92-2) is a chemical compound with molecular formula C22H22Cl2N2O6S and molecular weight 512.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(2-phenylsulfanylethoxy)propan-2-ol;oxalic acid
Also Known As: 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate, 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-alpha-((2-(phenylthio)ethoxy)methyl)-, ethanedioate salt, 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(2-phenylsulfanylethoxy)propan-2-ol; oxalic acid, 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(2-phenylsulfanylethoxy)propan-2-ol,oxalic acid, Oxalic acid--2-(2,4-dichlorophenyl)-1-(1H-imidazol-1-yl)-3-[2-(phenylsulfanyl)ethoxy]propan-2-ol (1/1)
| Molecular Formula | C22H22Cl2N2O6S |
|---|---|
| Molecular Weight | 512.06 g/mol |
| LogP | 4.0422 |
| Topological Polar Surface Area | 121.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.05756 |
| Heavy Atoms | 33 |
| Complexity | 1024.63 |
Chemical Identifiers
| CAS Number | 83337-92-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCOCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O.C(=O)(C(=O)O)O |
Product Overview
2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate (CAS 83337-92-2), with molecular formula C22H22Cl2N2O6S and molecular weight 512.06 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(2-phenylsulfanylethoxy)propan-2-ol;oxalic acid.
Chemical Property Profile of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate
Property Insights of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate
The XLogP value of 4.0422 indicates that 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate. Following Lipinski's Rule of Five, 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate?
The CAS number of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate is 83337-92-2.
What is the molecular formula of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate?
The molecular formula of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate is C22H22Cl2N2O6S.
What is the molecular weight of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate?
The molecular weight of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate is 512.06 g/mol.
Where can I buy 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate?
You can request a quote for 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(2-phenylthioethyloxy)-2-propanol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.