2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate
TL;DR: 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate (CAS 83338-54-9) is a chemical compound with molecular formula C25H28Cl2N4O5 and molecular weight 534.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;oxalic acid
Also Known As: 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate, 1-Piperazineethanol, alpha-(2,4-dichlorophenyl)-alpha-(1H-imidazol-1-ylmethyl)-4-(phenylmethyl)-, ethanedioate salt, Oxalic acid--1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenyl)-3-(1H-imidazol-1-yl)propan-2-ol (1/1), 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol; oxalic acid, RefChem:1093944
| Molecular Formula | C25H28Cl2N4O5 |
|---|---|
| Molecular Weight | 534.14 g/mol |
| LogP | 3.0511 |
| Topological Polar Surface Area | 119.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.1437 |
| Heavy Atoms | 36 |
| Complexity | 1126.6161 |
Chemical Identifiers
| CAS Number | 83338-54-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC(CN3C=CN=C3)(C4=C(C=C(C=C4)Cl)Cl)O.C(=O)(C(=O)O)O |
Product Overview
2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate (CAS 83338-54-9), with molecular formula C25H28Cl2N4O5 and molecular weight 534.14 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;oxalic acid.
Chemical Property Profile of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate
Property Insights of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate
The XLogP value of 3.0511 indicates that 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate. Following Lipinski's Rule of Five, 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-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-(N-benzylpiperazino)-2-propanol oxalate?
The CAS number of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate is 83338-54-9.
What is the molecular formula of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate?
The molecular formula of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate is C25H28Cl2N4O5.
What is the molecular weight of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate?
The molecular weight of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate is 534.14 g/mol.
Where can I buy 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate?
You can request a quote for 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-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-(N-benzylpiperazino)-2-propanol oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-benzylpiperazino)-2-propanol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.