Tert-butyl 3-amino-4-phenylbutanoate
TL;DR: Tert-butyl 3-amino-4-phenylbutanoate (CAS 120378-14-5) 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.
tert-butyl 3-amino-4-phenylbutanoate
Also Known As: tert-butyl 3-amino-4-phenylbutanoate, tert-butyl (3S)-3-amino-4-phenylbutanoate, (R)-tert-Butyl 3-amino-4-phenylbutanoate, Tert-butyl 3-amino-4-phenyl-butanoate, tert-butyl (3R)-3-amino-4-phenylbutanoate
Technical Specifications
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.15723 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.15723 Da |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
| SMILES | CC(C)(C)OC(=O)CC(CC1=CC=CC=C1)N |
| InChIKey | ZIJHIHDFXCNFAA-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 3-amino-4-phenylbutanoate
Property Insights of Tert-butyl 3-amino-4-phenylbutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-amino-4-phenylbutanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Tert-butyl 3-amino-4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-amino-4-phenylbutanoate 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 3-amino-4-phenylbutanoate?
The CAS number of Tert-butyl 3-amino-4-phenylbutanoate is 120378-14-5.
What is the molecular formula of Tert-butyl 3-amino-4-phenylbutanoate?
The molecular formula of Tert-butyl 3-amino-4-phenylbutanoate is C14H21NO2.
What is the molecular weight of Tert-butyl 3-amino-4-phenylbutanoate?
The molecular weight of Tert-butyl 3-amino-4-phenylbutanoate is 235.15723 g/mol.
Where can I buy Tert-butyl 3-amino-4-phenylbutanoate?
You can request a quote for Tert-butyl 3-amino-4-phenylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 3-amino-4-phenylbutanoate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 3-amino-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.