4-Methyl-1-naphthaleneboronic acid
TL;DR: 4-Methyl-1-naphthaleneboronic acid (CAS 103986-53-4) is a chemical compound with molecular formula C11H11BO2 and molecular weight 186.0852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylnaphthalen-1-yl)boronic acid
Also Known As: 4-Methyl-1-naphthaleneboronic acid, (4-Methyl-1-naphthalene)boronic acid, (4-methylnaphthalen-1-yl)boronic Acid, IRGAFOSP-EPQ, 4-Methylnaphthalene-1-boronic acid
Technical Specifications
| Molecular Formula | C11H11BO2 |
| Molecular Weight | 186.0852 g/mol |
| XLogP | 0.82802 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.0852 Da |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
| SMILES | B(C1=CC=C(C2=CC=CC=C12)C)(O)O |
| InChIKey | JHVQEUGNYSVSDH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-1-naphthaleneboronic acid
Property Insights of 4-Methyl-1-naphthaleneboronic acid
The XLogP value of 0.82802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-naphthaleneboronic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Methyl-1-naphthaleneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-naphthaleneboronic 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 4-Methyl-1-naphthaleneboronic acid?
The CAS number of 4-Methyl-1-naphthaleneboronic acid is 103986-53-4.
What is the molecular formula of 4-Methyl-1-naphthaleneboronic acid?
The molecular formula of 4-Methyl-1-naphthaleneboronic acid is C11H11BO2.
What is the molecular weight of 4-Methyl-1-naphthaleneboronic acid?
The molecular weight of 4-Methyl-1-naphthaleneboronic acid is 186.0852 g/mol.
Where can I buy 4-Methyl-1-naphthaleneboronic acid?
You can request a quote for 4-Methyl-1-naphthaleneboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-1-naphthaleneboronic acid?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-1-naphthaleneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.