(S)-2-acetylthiomethyl-3-phenylpropanoic acid
TL;DR: (S)-2-acetylthiomethyl-3-phenylpropanoic acid (CAS 124815-67-4) is a chemical compound with molecular formula C12H14O3S and molecular weight 238.06636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoic acid
Also Known As: (S)-3-(Acetylthio)-2-benzylpropanoic acid, (S)-2-acetylthiomethyl-3-phenylpropanoic acid, 2-(acetylsulfanylmethyl)-3-phenyl-propanoic Acid, (2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoic acid
Technical Specifications
| Molecular Formula | C12H14O3S |
| Molecular Weight | 238.06636 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.06636 Da |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
| SMILES | CC(=O)SC[C@@H](CC1=CC=CC=C1)C(=O)O |
| InChIKey | BCAAXVOKLXDSPD-LLVKDONJSA-N |
Chemical Property Profile of (S)-2-acetylthiomethyl-3-phenylpropanoic acid
Property Insights of (S)-2-acetylthiomethyl-3-phenylpropanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-acetylthiomethyl-3-phenylpropanoic acid. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-acetylthiomethyl-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (S)-2-acetylthiomethyl-3-phenylpropanoic acid 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 (S)-2-acetylthiomethyl-3-phenylpropanoic acid?
The CAS number of (S)-2-acetylthiomethyl-3-phenylpropanoic acid is 124815-67-4.
What is the molecular formula of (S)-2-acetylthiomethyl-3-phenylpropanoic acid?
The molecular formula of (S)-2-acetylthiomethyl-3-phenylpropanoic acid is C12H14O3S.
What is the molecular weight of (S)-2-acetylthiomethyl-3-phenylpropanoic acid?
The molecular weight of (S)-2-acetylthiomethyl-3-phenylpropanoic acid is 238.06636 g/mol.
Where can I buy (S)-2-acetylthiomethyl-3-phenylpropanoic acid?
You can request a quote for (S)-2-acetylthiomethyl-3-phenylpropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-acetylthiomethyl-3-phenylpropanoic acid?
Yes, CoreyChem provides custom synthesis services for (S)-2-acetylthiomethyl-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.