Pyren-1-ylboronic acid
TL;DR: Pyren-1-ylboronic acid (CAS 164461-18-1) is a chemical compound with molecular formula C16H11BO2 and molecular weight 246.0852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyren-1-ylboronic acid
Also Known As: 1-Pyrenylboronic acid, Pyren-1-ylboronic Acid, 1-Pyreneboronic acid, Pyrene-1-boronic acid, 1-Boronopyrene
Technical Specifications
| Molecular Formula | C16H11BO2 |
| Molecular Weight | 246.0852 g/mol |
| XLogP | 2.2638 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.0852 Da |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
| SMILES | B(C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)(O)O |
| InChIKey | MWEKPLLMFXIZOC-UHFFFAOYSA-N |
Chemical Property Profile of Pyren-1-ylboronic acid
Property Insights of Pyren-1-ylboronic acid
The XLogP value of 2.2638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyren-1-ylboronic acid. With a topological polar surface area (TPSA) of 40.5 Ų, Pyren-1-ylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyren-1-ylboronic acid has 2 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 Pyren-1-ylboronic acid?
The CAS number of Pyren-1-ylboronic acid is 164461-18-1.
What is the molecular formula of Pyren-1-ylboronic acid?
The molecular formula of Pyren-1-ylboronic acid is C16H11BO2.
What is the molecular weight of Pyren-1-ylboronic acid?
The molecular weight of Pyren-1-ylboronic acid is 246.0852 g/mol.
Where can I buy Pyren-1-ylboronic acid?
You can request a quote for Pyren-1-ylboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyren-1-ylboronic acid?
Yes, CoreyChem provides custom synthesis services for Pyren-1-ylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.