(3S)-3-phenylbutanoic acid
TL;DR: (3S)-3-phenylbutanoic acid (CAS 161610-09-9) 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.
(3S)-3-phenylbutanoic acid
Also Known As: (S)-3-Phenylbutyric acid, (3S)-3-phenylbutanoic acid, (S)-3-Phenylbutanoic acid, Hypophyllanthin, 3-Phenylbutanoic acid #
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| SMILES | C[C@@H](CC(=O)O)C1=CC=CC=C1 |
| InChIKey | ZZEWMYILWXCRHZ-QMMMGPOBSA-N |
Chemical Property Profile of (3S)-3-phenylbutanoic acid
Property Insights of (3S)-3-phenylbutanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-phenylbutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (3S)-3-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-phenylbutanoic acid has 1 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 (3S)-3-phenylbutanoic acid?
The CAS number of (3S)-3-phenylbutanoic acid is 161610-09-9.
What is the molecular formula of (3S)-3-phenylbutanoic acid?
The molecular formula of (3S)-3-phenylbutanoic acid is C10H12O2.
What is the molecular weight of (3S)-3-phenylbutanoic acid?
The molecular weight of (3S)-3-phenylbutanoic acid is 164.08372 g/mol.
Where can I buy (3S)-3-phenylbutanoic acid?
You can request a quote for (3S)-3-phenylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-phenylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-3-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.