(3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid
TL;DR: (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid (CAS 1187591-51-0) is a chemical compound with molecular formula C11H12FNO3 and molecular weight 225.08012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid
Also Known As: BAS 00866792, (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid
Technical Specifications
| Molecular Formula | C11H12FNO3 |
| Molecular Weight | 225.08012 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.08012 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | CC(=O)N[C@@H](CC(=O)O)C1=CC=C(C=C1)F |
| InChIKey | AKOVXMLBDXLGSK-JTQLQIEISA-N |
Chemical Property Profile of (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid
Property Insights of (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid. Following Lipinski's Rule of Five, (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid has 2 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 (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid?
The CAS number of (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid is 1187591-51-0.
What is the molecular formula of (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid?
The molecular formula of (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid is C11H12FNO3.
What is the molecular weight of (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid?
The molecular weight of (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid is 225.08012 g/mol.
Where can I buy (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid?
You can request a quote for (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-3-acetamido-3-(4-fluorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.