4-Pyridin-3-yl-but-3-enoic acid
TL;DR: 4-Pyridin-3-yl-but-3-enoic acid (CAS 1005327-54-7) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-pyridin-3-ylbut-3-enoic acid
Also Known As: 4-(3-pyridyl)-3-butenoic acid, 4-pyridin-3-yl-but-3-enoic acid, (E)-4-(3-Pyridyl)-3-butenoic Acid, 4-pyridin-3-ylbut-3-enoic acid, 4-(3-Pyridinyl)-3-butenoic acid
Technical Specifications
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.06332 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.06332 Da |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
| SMILES | C1=CC(=CN=C1)C=CCC(=O)O |
| InChIKey | MHVJWSPYMHAALE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Pyridin-3-yl-but-3-enoic acid
Property Insights of 4-Pyridin-3-yl-but-3-enoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridin-3-yl-but-3-enoic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 4-Pyridin-3-yl-but-3-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridin-3-yl-but-3-enoic acid has 1 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 4-Pyridin-3-yl-but-3-enoic acid?
The CAS number of 4-Pyridin-3-yl-but-3-enoic acid is 1005327-54-7.
What is the molecular formula of 4-Pyridin-3-yl-but-3-enoic acid?
The molecular formula of 4-Pyridin-3-yl-but-3-enoic acid is C9H9NO2.
What is the molecular weight of 4-Pyridin-3-yl-but-3-enoic acid?
The molecular weight of 4-Pyridin-3-yl-but-3-enoic acid is 163.06332 g/mol.
Where can I buy 4-Pyridin-3-yl-but-3-enoic acid?
You can request a quote for 4-Pyridin-3-yl-but-3-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Pyridin-3-yl-but-3-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Pyridin-3-yl-but-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.