tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1)
TL;DR: tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1) (CAS 66171-53-7) is a chemical compound with molecular formula C13H19Cl2NO2 and molecular weight 291.07928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]azanium chloride
Also Known As: 2-(3-Chlorophenyl)-1,1-dimethylethyl 2-aminopropanoate hydrochloride, ALANINE, 2-(3-CHLOROPHENYL)-1,1-DIMETHYLETHYL ESTER, HYDROCHLORIDE, tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1), DL-Alanine, 2-(3-chlorophenyl)-1,1-dimethylethyl ester, hydrochloride, [2-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]azanium chloride
Technical Specifications
| Molecular Formula | C13H19Cl2NO2 |
| Molecular Weight | 291.07928 g/mol |
| XLogP | -0.86 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.07928 Da |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
| SMILES | CC(C)(C)OC(=O)C(C)(C1=CC(=CC=C1)Cl)[NH3+].[Cl-] |
| InChIKey | POLQTYGQQXYARV-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1)
Property Insights of tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1)
The XLogP value of -0.86 indicates that tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (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-chlorophenyl)alaninate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (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
What is the CAS number of tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1)?
The CAS number of tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1) is 66171-53-7.
What is the molecular formula of tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1)?
The molecular formula of tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1) is C13H19Cl2NO2.
What is the molecular weight of tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1)?
The molecular weight of tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1) is 291.07928 g/mol.
Where can I buy tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1)?
You can request a quote for tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for tert-Butyl 2-(3-chlorophenyl)alaninate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.