tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1)
TL;DR: tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1) (CAS 57483-87-1) is a chemical compound with molecular formula C13H18BrCl2NO2 and molecular weight 368.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]azanium bromide
Also Known As: 2-(3,4-Dichlorophenyl)-1,1-dimethylethyl 2-aminopropanoate hydrobromide, ALANINE, 2-(3,4-DICHLOROPHENYL)-1,1-DIMETHYLETHYL ESTER, HYDROBROMIDE, tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1), [2-(3,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]azanium bromide, RefChem:1099507
| Molecular Formula | C13H18BrCl2NO2 |
|---|---|
| Molecular Weight | 368.99 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.9898 |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 57483-87-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C)(C1=CC(=C(C=C1)Cl)Cl)[NH3+].[Br-] |
| InChIKey | SZIMSUUHKKAQMR-UHFFFAOYSA-N |
Product Overview
tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1) (CAS 57483-87-1), with molecular formula C13H18BrCl2NO2 and molecular weight 368.99 g/mol. IUPAC: [2-(3,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]azanium bromide.
Chemical Property Profile of tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1)
Property Insights of tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1)
The XLogP value of -0.2 indicates that tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.9 Ų, tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1) has 1 hydrogen bond donor(s) and 3 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 tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1)?
The CAS number of tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1) is 57483-87-1.
What is the molecular formula of tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1)?
The molecular formula of tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1) is C13H18BrCl2NO2.
What is the molecular weight of tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1)?
The molecular weight of tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1) is 368.99 g/mol.
Where can I buy tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1)?
You can request a quote for tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.