2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate
TL;DR: 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate (CAS 83338-52-7) is a chemical compound with molecular formula C28H32Cl2N4O8 and molecular weight 622.16 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-(4-phenylpiperazin-1-yl)propan-2-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate, 1-Piperazineethanol, alpha-(2,4-dichlorophenyl)-alpha-(1H-imidazol-1-ylmethyl)-4-phenyl-, 2-hydroxy-1,2,3-propanetricarboxylate (salt), 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-(2,4-dichlorophenyl)-1-(1H-imidazol-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-ol (1/1), 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol; 2-hydroxypropane-1,2,3-tricarboxylic acid, RefChem:1063445
| Molecular Formula | C28H32Cl2N4O8 |
|---|---|
| Molecular Weight | 622.16 g/mol |
| LogP | 2.6514 |
| Topological Polar Surface Area | 176.66 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 622.1597 |
| Heavy Atoms | 42 |
| Complexity | 1335.2042 |
Chemical Identifiers
| CAS Number | 83338-52-7 |
|---|---|
| SMILES | C1CN(CCN1CC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate (CAS 83338-52-7), with molecular formula C28H32Cl2N4O8 and molecular weight 622.16 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate
Property Insights of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate
The XLogP value of 2.6514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate. The TPSA of 176.66 Ų indicates high polarity, suggesting 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate has 5 hydrogen bond donor(s) and 8 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-phenylpiperazino)-2-propanol citrate?
The CAS number of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate is 83338-52-7.
What is the molecular formula of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate?
The molecular formula of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate is C28H32Cl2N4O8.
What is the molecular weight of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate?
The molecular weight of 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate is 622.16 g/mol.
Where can I buy 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate?
You can request a quote for 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate 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-phenylpiperazino)-2-propanol citrate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dichlorophenyl)-1-(imidazol-1-yl)-3-(N-phenylpiperazino)-2-propanol citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.