5-Acetyl-2-chlorophenylboronic acid
TL;DR: 5-Acetyl-2-chlorophenylboronic acid (CAS 84859-93-8) is a chemical compound with molecular formula C8H8BClO3 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyl-2-chlorophenyl)boronic acid
Also Known As: 5-Acetyl-2-chlorophenylboronic acid, (5-acetyl-2-chlorophenyl)boronic acid, (5-acetyl-2-chloro-phenyl)boronic Acid, [2-Chloro-5-acetylphenyl]boronic acid, (5-acetyl-2-chlorophenyl)boronicacid
| Molecular Formula | C8H8BClO3 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 0.2224 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0255 |
| Heavy Atoms | 13 |
| Complexity | 338.16107 |
Chemical Identifiers
| CAS Number | 84859-93-8 |
|---|---|
| SMILES | B(C1=C(C=CC(=C1)C(=O)C)Cl)(O)O |
Product Overview
5-Acetyl-2-chlorophenylboronic acid (CAS 84859-93-8), with molecular formula C8H8BClO3 and molecular weight 198.03 g/mol. IUPAC: (5-acetyl-2-chlorophenyl)boronic acid.
Chemical Property Profile of 5-Acetyl-2-chlorophenylboronic acid
Property Insights of 5-Acetyl-2-chlorophenylboronic acid
The XLogP value of 0.2224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-chlorophenylboronic acid. With a topological polar surface area (TPSA) of 57.53 Ų, 5-Acetyl-2-chlorophenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-2-chlorophenylboronic 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
Frequently Asked Questions
What is the CAS number of 5-Acetyl-2-chlorophenylboronic acid?
The CAS number of 5-Acetyl-2-chlorophenylboronic acid is 84859-93-8.
What is the molecular formula of 5-Acetyl-2-chlorophenylboronic acid?
The molecular formula of 5-Acetyl-2-chlorophenylboronic acid is C8H8BClO3.
What is the molecular weight of 5-Acetyl-2-chlorophenylboronic acid?
The molecular weight of 5-Acetyl-2-chlorophenylboronic acid is 198.03 g/mol.
Where can I buy 5-Acetyl-2-chlorophenylboronic acid?
You can request a quote for 5-Acetyl-2-chlorophenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-chlorophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-chlorophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.