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Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate
TL;DR: Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate (CAS 603944-21-4) is a chemical compound with molecular formula C12H17NO2S and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-(4-methylsulfanylphenyl)propanoate
Also Known As: ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate, Ethyl 2-amino-3-(4-methylsulfanylphenyl)propanoate
| Molecular Formula | C12H17NO2S |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | 1.8414 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.098 |
| Heavy Atoms | 16 |
| Complexity | 337.37692 |
Chemical Identifiers
| CAS Number | 603944-21-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)SC)N |
Product Overview
Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate (CAS 603944-21-4), with molecular formula C12H17NO2S and molecular weight 239.10 g/mol. IUPAC: ethyl 2-amino-3-(4-methylsulfanylphenyl)propanoate.
Chemical Property Profile of Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate
Property Insights of Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate
The XLogP value of 1.8414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate has 1 hydrogen bond donor(s) and 4 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 Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
The CAS number of Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate is 603944-21-4.
What is the molecular formula of Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
The molecular formula of Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate is C12H17NO2S.
What is the molecular weight of Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
The molecular weight of Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate is 239.10 g/mol.
Where can I buy Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
You can request a quote for Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-3-[4-(methylsulfanyl)phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.