3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate
TL;DR: 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate (CAS 83338-40-3) is a chemical compound with molecular formula C21H21Cl2N3O5 and molecular weight 465.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;oxalic acid
Also Known As: 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate, 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-alpha-(((phenylmethyl)amino)methyl)-, ethanedioate salt, 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol; oxalic acid, Oxalic acid--1-(benzylamino)-2-(2,4-dichlorophenyl)-3-(1H-imidazol-1-yl)propan-2-ol (1/1), RefChem:1057980
| Molecular Formula | C21H21Cl2N3O5 |
|---|---|
| Molecular Weight | 465.09 g/mol |
| LogP | 3.0231 |
| Topological Polar Surface Area | 124.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.08582 |
| Heavy Atoms | 31 |
| Complexity | 987.5145 |
Chemical Identifiers
| CAS Number | 83338-40-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O.C(=O)(C(=O)O)O |
Product Overview
3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate (CAS 83338-40-3), with molecular formula C21H21Cl2N3O5 and molecular weight 465.09 g/mol. IUPAC: 1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;oxalic acid.
Chemical Property Profile of 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate
Property Insights of 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate
The XLogP value of 3.0231 indicates that 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate. Following Lipinski's Rule of Five, 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate has 4 hydrogen bond donor(s) and 5 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 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate?
The CAS number of 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate is 83338-40-3.
What is the molecular formula of 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate?
The molecular formula of 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate is C21H21Cl2N3O5.
What is the molecular weight of 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate?
The molecular weight of 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate is 465.09 g/mol.
Where can I buy 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate?
You can request a quote for 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-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 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylamino-2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-2-propanol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.