tert-butyl (3S)-3-amino-4-phenylbutanoate
TL;DR: tert-butyl (3S)-3-amino-4-phenylbutanoate (CAS 120686-17-1) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (3S)-3-amino-4-phenylbutanoate
Also Known As: tert-butyl (3S)-3-amino-4-phenylbutanoate, (S)-tert-Butyl 3-amino-4-phenylbutanoate, tert-Butyl (3S)-3-amino-4-phenyl-butanoate, tert-Butyl (S)-3-Amino-4-phenylbutanoate, t-Butyl(3S)-3-amino-4-phenylbutanoate
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 2.2882 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 354.23502 |
Chemical Identifiers
| CAS Number | 120686-17-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C[C@H](CC1=CC=CC=C1)N |
Product Overview
tert-butyl (3S)-3-amino-4-phenylbutanoate (CAS 120686-17-1), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: tert-butyl (3S)-3-amino-4-phenylbutanoate.
Chemical Property Profile of tert-butyl (3S)-3-amino-4-phenylbutanoate
Property Insights of tert-butyl (3S)-3-amino-4-phenylbutanoate
The XLogP value of 2.2882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (3S)-3-amino-4-phenylbutanoate. With a topological polar surface area (TPSA) of 52.32 Ų, tert-butyl (3S)-3-amino-4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl (3S)-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
Frequently Asked Questions
What is the CAS number of tert-butyl (3S)-3-amino-4-phenylbutanoate?
The CAS number of tert-butyl (3S)-3-amino-4-phenylbutanoate is 120686-17-1.
What is the molecular formula of tert-butyl (3S)-3-amino-4-phenylbutanoate?
The molecular formula of tert-butyl (3S)-3-amino-4-phenylbutanoate is C14H21NO2.
What is the molecular weight of tert-butyl (3S)-3-amino-4-phenylbutanoate?
The molecular weight of tert-butyl (3S)-3-amino-4-phenylbutanoate is 235.16 g/mol.
Where can I buy tert-butyl (3S)-3-amino-4-phenylbutanoate?
You can request a quote for tert-butyl (3S)-3-amino-4-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl (3S)-3-amino-4-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (3S)-3-amino-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.