2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)
TL;DR: 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1) (CAS 66171-56-0) is a chemical compound with molecular formula C14H22BrNO2 and molecular weight 315.0834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[2-methyl-1-(4-methylphenyl)propan-2-yl]oxy-1-oxopropan-2-yl]azanium bromide
Also Known As: 1,1-Dimethyl-2-(4-methylphenyl)ethyl 2-aminopropanoate hydrobromide, ALANINE, 1,1-DIMETHYL-2-(4-METHYLPHENYL)ETHYL ESTER, HYDROBROMIDE, 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1), [1-[2-methyl-1-(4-methylphenyl)propan-2-yl]oxy-1-oxopropan-2-yl]azanium bromide
Technical Specifications
| Molecular Formula | C14H22BrNO2 |
| Molecular Weight | 315.0834 g/mol |
| XLogP | -1.51 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.0834 Da |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
| SMILES | CC1=CC=C(C=C1)CC(C)(C)OC(=O)C(C)[NH3+].[Br-] |
| InChIKey | VMOCOSXRHJRYKS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)
Property Insights of 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)
The XLogP value of -1.51 indicates that 2-Methyl-1-(4-methylphenyl)propan-2-yl 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, 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-(4-methylphenyl)propan-2-yl 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
What is the CAS number of 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)?
The CAS number of 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1) is 66171-56-0.
What is the molecular formula of 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)?
The molecular formula of 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1) is C14H22BrNO2.
What is the molecular weight of 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)?
The molecular weight of 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1) is 315.0834 g/mol.
Where can I buy 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)?
You can request a quote for 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.