(3-Chloro-4-methoxy-5-methylphenyl)boronic acid
TL;DR: (3-Chloro-4-methoxy-5-methylphenyl)boronic acid (CAS 1050509-76-6) is a chemical compound with molecular formula C8H10BClO3 and molecular weight 200.04115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chloro-4-methoxy-5-methylphenyl)boronic acid
Also Known As: (3-chloro-4-methoxy-5-methylphenyl)boronic acid, 3-Chloro-4-methoxy-5-methylbenzeneboronic acid, 3-chloro-4-methoxy-5-methylphenylboronic acid, (3-chloro-4-methoxy-5-methyl-phenyl)boronic Acid, (3-chloro-4-methoxy-5-methylphenyl)boronicacid
Technical Specifications
| Molecular Formula | C8H10BClO3 |
| Molecular Weight | 200.04115 g/mol |
| XLogP | 0.33682 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.04115 Da |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| SMILES | B(C1=CC(=C(C(=C1)Cl)OC)C)(O)O |
| InChIKey | KTMAQAZAWBZDNC-UHFFFAOYSA-N |
Chemical Property Profile of (3-Chloro-4-methoxy-5-methylphenyl)boronic acid
Property Insights of (3-Chloro-4-methoxy-5-methylphenyl)boronic acid
The XLogP value of 0.33682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloro-4-methoxy-5-methylphenyl)boronic acid. With a topological polar surface area (TPSA) of 49.7 Ų, (3-Chloro-4-methoxy-5-methylphenyl)boronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-4-methoxy-5-methylphenyl)boronic acid has 2 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 (3-Chloro-4-methoxy-5-methylphenyl)boronic acid?
The CAS number of (3-Chloro-4-methoxy-5-methylphenyl)boronic acid is 1050509-76-6.
What is the molecular formula of (3-Chloro-4-methoxy-5-methylphenyl)boronic acid?
The molecular formula of (3-Chloro-4-methoxy-5-methylphenyl)boronic acid is C8H10BClO3.
What is the molecular weight of (3-Chloro-4-methoxy-5-methylphenyl)boronic acid?
The molecular weight of (3-Chloro-4-methoxy-5-methylphenyl)boronic acid is 200.04115 g/mol.
Where can I buy (3-Chloro-4-methoxy-5-methylphenyl)boronic acid?
You can request a quote for (3-Chloro-4-methoxy-5-methylphenyl)boronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Chloro-4-methoxy-5-methylphenyl)boronic acid?
Yes, CoreyChem provides custom synthesis services for (3-Chloro-4-methoxy-5-methylphenyl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.