Methyl (S)-3-amino-3-phenylpropanoate
TL;DR: Methyl (S)-3-amino-3-phenylpropanoate (CAS 67654-58-4) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-3-amino-3-phenylpropanoate
Also Known As: (S)-Methyl 3-amino-3-phenylpropanoate, methyl (3S)-3-amino-3-phenylpropanoate, Methyl (S)-3-amino-3-phenylpropanoate, (S)-Methyl3-amino-3-phenylpropanoate, Methyl -3-acetamido-3-phenylpropanoate
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.2495 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 271.51306 |
Chemical Identifiers
| CAS Number | 67654-58-4 |
|---|---|
| SMILES | COC(=O)C[C@@H](C1=CC=CC=C1)N |
Product Overview
Methyl (S)-3-amino-3-phenylpropanoate (CAS 67654-58-4), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: methyl (3S)-3-amino-3-phenylpropanoate.
Chemical Property Profile of Methyl (S)-3-amino-3-phenylpropanoate
Property Insights of Methyl (S)-3-amino-3-phenylpropanoate
The XLogP value of 1.2495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (S)-3-amino-3-phenylpropanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl (S)-3-amino-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (S)-3-amino-3-phenylpropanoate 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 Methyl (S)-3-amino-3-phenylpropanoate?
The CAS number of Methyl (S)-3-amino-3-phenylpropanoate is 67654-58-4.
What is the molecular formula of Methyl (S)-3-amino-3-phenylpropanoate?
The molecular formula of Methyl (S)-3-amino-3-phenylpropanoate is C10H13NO2.
What is the molecular weight of Methyl (S)-3-amino-3-phenylpropanoate?
The molecular weight of Methyl (S)-3-amino-3-phenylpropanoate is 179.09 g/mol.
Where can I buy Methyl (S)-3-amino-3-phenylpropanoate?
You can request a quote for Methyl (S)-3-amino-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (S)-3-amino-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (S)-3-amino-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.