(3S)-4-methyl-3-phenylpentan-2-one
TL;DR: (3S)-4-methyl-3-phenylpentan-2-one (CAS 155028-60-7) is a chemical compound with molecular formula C12H16O and molecular weight 176.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4-methyl-3-phenylpentan-2-one
Also Known As: (3S)-4-methyl-3-phenylpentan-2-one, 2-Pentanone, 4-methyl-3-phenyl-, (3S)-, [S,(+)]-4-Methyl-3-phenyl-2-pentanone
Technical Specifications
| Molecular Formula | C12H16O |
| Molecular Weight | 176.12012 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 Da |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
| SMILES | CC(C)[C@@H](C1=CC=CC=C1)C(=O)C |
| InChIKey | ZGXKWWBUKMPBBD-GFCCVEGCSA-N |
Chemical Property Profile of (3S)-4-methyl-3-phenylpentan-2-one
Property Insights of (3S)-4-methyl-3-phenylpentan-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-4-methyl-3-phenylpentan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, (3S)-4-methyl-3-phenylpentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-4-methyl-3-phenylpentan-2-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3S)-4-methyl-3-phenylpentan-2-one?
The CAS number of (3S)-4-methyl-3-phenylpentan-2-one is 155028-60-7.
What is the molecular formula of (3S)-4-methyl-3-phenylpentan-2-one?
The molecular formula of (3S)-4-methyl-3-phenylpentan-2-one is C12H16O.
What is the molecular weight of (3S)-4-methyl-3-phenylpentan-2-one?
The molecular weight of (3S)-4-methyl-3-phenylpentan-2-one is 176.12012 g/mol.
Where can I buy (3S)-4-methyl-3-phenylpentan-2-one?
You can request a quote for (3S)-4-methyl-3-phenylpentan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-4-methyl-3-phenylpentan-2-one?
Yes, CoreyChem provides custom synthesis services for (3S)-4-methyl-3-phenylpentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.