(S)-3-(Boc-amino)-4-phenylbutyric acid
TL;DR: (S)-3-(Boc-amino)-4-phenylbutyric acid (CAS 101555-61-7) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
Also Known As: (S)-3-(Boc-amino)-4-phenylbutyric acid, Boc-beta-HoPhe-OH, Boc-L-beta-homophenylalanine, Boc-, A-HoPhe-OH
Technical Specifications
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.14706 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.14706 Da |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)CC(=O)O |
| InChIKey | ACKWQHCPHJQANL-LBPRGKRZSA-N |
Chemical Property Profile of (S)-3-(Boc-amino)-4-phenylbutyric acid
Property Insights of (S)-3-(Boc-amino)-4-phenylbutyric acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(Boc-amino)-4-phenylbutyric acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(Boc-amino)-4-phenylbutyric acid. Following Lipinski's Rule of Five, (S)-3-(Boc-amino)-4-phenylbutyric acid has 2 hydrogen bond donor(s) and 4 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-(Boc-amino)-4-phenylbutyric acid?
The CAS number of (S)-3-(Boc-amino)-4-phenylbutyric acid is 101555-61-7.
What is the molecular formula of (S)-3-(Boc-amino)-4-phenylbutyric acid?
The molecular formula of (S)-3-(Boc-amino)-4-phenylbutyric acid is C15H21NO4.
What is the molecular weight of (S)-3-(Boc-amino)-4-phenylbutyric acid?
The molecular weight of (S)-3-(Boc-amino)-4-phenylbutyric acid is 279.14706 g/mol.
Where can I buy (S)-3-(Boc-amino)-4-phenylbutyric acid?
You can request a quote for (S)-3-(Boc-amino)-4-phenylbutyric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-3-(Boc-amino)-4-phenylbutyric acid?
Yes, CoreyChem provides custom synthesis services for (S)-3-(Boc-amino)-4-phenylbutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.