RefChem:1054282
TL;DR: RefChem:1054282 (CAS 56795-23-4) is a chemical compound with molecular formula C12H19Cl2FN2O and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-amino-3-chloro-5-fluorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride
Also Known As: Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-chloro-5-fluoro-, hydrochloride, 4-Amino-alpha-((tert-butylamino)methyl)-3-chloro-5-fluorobenzyl alcohol hydrochloride, Benzenemethanol, 4-amino-3-chloro-alpha-(((1,1-dimethylethyl)amino)methyl)-5-fluoro-, HCl, [2-(4-amino-3-chloro-5-fluorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride, 1-(4-Amino-3-chloro-5-fluorophenyl)-2-(tert-butylamino)ethan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C12H19Cl2FN2O |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | -1.54 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.08585 |
| Heavy Atoms | 18 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 56795-23-4 |
|---|---|
| SMILES | CC(C)(C)[NH2+]CC(C1=CC(=C(C(=C1)Cl)N)F)O.[Cl-] |
| InChIKey | CZJFFCHZGPFPRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1054282 (CAS 56795-23-4), with molecular formula C12H19Cl2FN2O and molecular weight 296.09 g/mol. IUPAC: [2-(4-amino-3-chloro-5-fluorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride.
Chemical Property Profile of RefChem:1054282
Property Insights of RefChem:1054282
The XLogP value of -1.54 indicates that RefChem:1054282 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054282. Following Lipinski's Rule of Five, RefChem:1054282 has 3 hydrogen bond donor(s) and 4 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 RefChem:1054282?
The CAS number of RefChem:1054282 is 56795-23-4.
What is the molecular formula of RefChem:1054282?
The molecular formula of RefChem:1054282 is C12H19Cl2FN2O.
What is the molecular weight of RefChem:1054282?
The molecular weight of RefChem:1054282 is 296.09 g/mol.
Where can I buy RefChem:1054282?
You can request a quote for RefChem:1054282 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054282?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054282 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.