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Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate
TL;DR: Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate (CAS 502842-09-3) is a chemical compound with molecular formula C12H17NO2S and molecular weight 239.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-amino-3-(4-methylsulfanylphenyl)propanoate
Also Known As: ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate, Ethyl 3-amino-3-(4-methylsulfanylphenyl)propanoate, Ethyl 3-amino-3-(4-(methylthio)phenyl)propanoate
Technical Specifications
| Molecular Formula | C12H17NO2S |
| Molecular Weight | 239.098 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.098 Da |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
| SMILES | CCOC(=O)CC(C1=CC=C(C=C1)SC)N |
| InChIKey | JDCKIJHPCOAUKZ-UHFFFAOYSA-N |
Product Description
Applications: Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate (CAS 502842-09-3) has the molecular formula C12H17NO2S and a molecular weight of 239.1 g/mol. Synonyms include ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate and Ethyl 3-amino-3-(4-methylsulfanylphenyl)propanoate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate
Property Insights of Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate. Following Lipinski's Rule of Five, Ethyl 3-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
What is the CAS number of Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
The CAS number of Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate is 502842-09-3.
What is the molecular formula of Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
The molecular formula of Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate is C12H17NO2S.
What is the molecular weight of Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
The molecular weight of Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate is 239.098 g/mol.
What are the applications of Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
You can request a quote for Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-amino-3-[4-(methylsulfanyl)phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.