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Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate
TL;DR: Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate (CAS 1026579-35-0) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate
Also Known As: methyl 4-(2-aminoethylthio)phenylacetate, Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate
Technical Specifications
| Molecular Formula | C11H15NO2S |
| Molecular Weight | 225.08235 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.08235 Da |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
| SMILES | COC(=O)CC1=CC=C(C=C1)SCCN |
| InChIKey | SUSKWBMQTMXNTR-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate
Property Insights of Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate. Following Lipinski's Rule of Five, Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate 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 Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate?
The CAS number of Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate is 1026579-35-0.
What is the molecular formula of Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate?
The molecular formula of Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate is C11H15NO2S.
What is the molecular weight of Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate?
The molecular weight of Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate is 225.08235 g/mol.
Where can I buy Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate?
You can request a quote for Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.