methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate
TL;DR: methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate (CAS 1213620-82-6) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate
Also Known As: ZERO/006109, methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate, Methyl (s)-3-amino-3-(4-ethylphenyl)propanoate
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
| SMILES | CCC1=CC=C(C=C1)[C@H](CC(=O)OC)N |
| InChIKey | AYPDUDDQDAFJQH-NSHDSACASA-N |
Chemical Property Profile of methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate
Property Insights of methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate 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 methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate?
The CAS number of methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate is 1213620-82-6.
What is the molecular formula of methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate?
The molecular formula of methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate is C12H17NO2.
What is the molecular weight of methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate?
The molecular weight of methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate is 207.12593 g/mol.
Where can I buy methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate?
You can request a quote for methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for methyl (3S)-3-amino-3-(4-ethylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.