4-(pyrrolidin-1-ylmethyl)benzoic Acid
TL;DR: 4-(pyrrolidin-1-ylmethyl)benzoic Acid (CAS 159691-25-5) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(pyrrolidin-1-ylmethyl)benzoic acid
Also Known As: 4-(pyrrolidin-1-ylmethyl)benzoic Acid, 4-Pyrrolidin-1-ylmethyl-benzoic acid, Benzoic acid, 4-(1-pyrrolidinylmethyl)-, 4-(1-pyrrolidinylmethyl)benzoic acid, 4-(pyrrolidinylmethyl)benzoic acid
Technical Specifications
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.11028 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 Da |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
| SMILES | C1CCN(C1)CC2=CC=C(C=C2)C(=O)O |
| InChIKey | DOEIPZUTRVMWAB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(pyrrolidin-1-ylmethyl)benzoic Acid
Property Insights of 4-(pyrrolidin-1-ylmethyl)benzoic Acid
The XLogP value of -0.5 indicates that 4-(pyrrolidin-1-ylmethyl)benzoic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 4-(pyrrolidin-1-ylmethyl)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(pyrrolidin-1-ylmethyl)benzoic 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-(pyrrolidin-1-ylmethyl)benzoic Acid?
The CAS number of 4-(pyrrolidin-1-ylmethyl)benzoic Acid is 159691-25-5.
What is the molecular formula of 4-(pyrrolidin-1-ylmethyl)benzoic Acid?
The molecular formula of 4-(pyrrolidin-1-ylmethyl)benzoic Acid is C12H15NO2.
What is the molecular weight of 4-(pyrrolidin-1-ylmethyl)benzoic Acid?
The molecular weight of 4-(pyrrolidin-1-ylmethyl)benzoic Acid is 205.11028 g/mol.
Where can I buy 4-(pyrrolidin-1-ylmethyl)benzoic Acid?
You can request a quote for 4-(pyrrolidin-1-ylmethyl)benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(pyrrolidin-1-ylmethyl)benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 4-(pyrrolidin-1-ylmethyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.