(1S)-1-Phenylethyl Acetate
TL;DR: (1S)-1-Phenylethyl Acetate (CAS 16197-93-6) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S)-1-phenylethyl] acetate
Also Known As: (s)-1-phenylethyl acetate, (1S)-1-Phenylethyl Acetate, starbld0004146, 1-Phenylethyl acetate #, Methylphenylcarbinyl acetate
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| SMILES | C[C@@H](C1=CC=CC=C1)OC(=O)C |
| InChIKey | QUMXDOLUJCHOAY-QMMMGPOBSA-N |
Chemical Property Profile of (1S)-1-Phenylethyl Acetate
Property Insights of (1S)-1-Phenylethyl Acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-1-Phenylethyl Acetate. With a topological polar surface area (TPSA) of 26.3 Ų, (1S)-1-Phenylethyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S)-1-Phenylethyl Acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1S)-1-Phenylethyl Acetate?
The CAS number of (1S)-1-Phenylethyl Acetate is 16197-93-6.
What is the molecular formula of (1S)-1-Phenylethyl Acetate?
The molecular formula of (1S)-1-Phenylethyl Acetate is C10H12O2.
What is the molecular weight of (1S)-1-Phenylethyl Acetate?
The molecular weight of (1S)-1-Phenylethyl Acetate is 164.08372 g/mol.
Where can I buy (1S)-1-Phenylethyl Acetate?
You can request a quote for (1S)-1-Phenylethyl Acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S)-1-Phenylethyl Acetate?
Yes, CoreyChem provides custom synthesis services for (1S)-1-Phenylethyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.