3-Methyl-S-mandelic Acid
TL;DR: 3-Methyl-S-mandelic Acid (CAS 132748-42-6) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-hydroxy-2-(3-methylphenyl)acetic acid
Also Known As: 3-Methyl-L-mandelic acid, 3-Methyl-S-mandelic Acid, (2S)-2-hydroxy-2-(3-methylphenyl)acetic acid
Technical Specifications
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.06299 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| SMILES | CC1=CC(=CC=C1)[C@@H](C(=O)O)O |
| InChIKey | ASTGXUHKUFFOQX-QMMMGPOBSA-N |
Chemical Property Profile of 3-Methyl-S-mandelic Acid
Property Insights of 3-Methyl-S-mandelic Acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-S-mandelic Acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Methyl-S-mandelic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-S-mandelic Acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methyl-S-mandelic Acid?
The CAS number of 3-Methyl-S-mandelic Acid is 132748-42-6.
What is the molecular formula of 3-Methyl-S-mandelic Acid?
The molecular formula of 3-Methyl-S-mandelic Acid is C9H10O3.
What is the molecular weight of 3-Methyl-S-mandelic Acid?
The molecular weight of 3-Methyl-S-mandelic Acid is 166.06299 g/mol.
Where can I buy 3-Methyl-S-mandelic Acid?
You can request a quote for 3-Methyl-S-mandelic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-S-mandelic Acid?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-S-mandelic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.