(S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride
TL;DR: (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride (CAS 1217789-95-1) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.1339 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;hydrochloride
Also Known As: (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride, 4098AA, H-Phe(4-tBu)-(C#CH2)OH HCl, (S)-3-Amino-4-(4-tert-Butyl-phenyl)-butyric acid-HCl, (3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid;hydrochloride
Technical Specifications
| Molecular Formula | C14H22ClNO2 |
| Molecular Weight | 271.1339 g/mol |
| XLogP | 2.7504 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.1339 Da |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C[C@@H](CC(=O)O)N.Cl |
| InChIKey | NPVGFMZLBRNQHM-YDALLXLXSA-N |
Chemical Property Profile of (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride
Property Insights of (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride
The XLogP value of 2.7504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride. Following Lipinski's Rule of Five, (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride has 3 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 (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride?
The CAS number of (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride is 1217789-95-1.
What is the molecular formula of (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride?
The molecular formula of (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride is C14H22ClNO2.
What is the molecular weight of (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride?
The molecular weight of (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride is 271.1339 g/mol.
Where can I buy (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride?
You can request a quote for (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride?
Yes, CoreyChem provides custom synthesis services for (S)-3-Amino-4-(4-(tert-butyl)phenyl)butanoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.