(3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid
TL;DR: (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid (CAS 1217977-22-4) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid
Also Known As: (s)-3-amino-4-(4-tert-butylphenyl)butyric acid, (3R)-3-amino-4-(4-tert-butylphenyl)butanoic Acid, (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid, benzenebutanoic acid, beta-amino-4-(1,1-dimethylethyl)-, (betas)-
Technical Specifications
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.15723 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.15723 Da |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C[C@@H](CC(=O)O)N |
| InChIKey | KDMFJTJDCJZSGE-LBPRGKRZSA-N |
Chemical Property Profile of (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid
Property Insights of (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid. Following Lipinski's Rule of Five, (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid has 2 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 (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid?
The CAS number of (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid is 1217977-22-4.
What is the molecular formula of (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid?
The molecular formula of (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid is C14H21NO2.
What is the molecular weight of (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid?
The molecular weight of (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid is 235.15723 g/mol.
Where can I buy (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid?
You can request a quote for (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.