3-Acetylphenylboronic acid
TL;DR: 3-Acetylphenylboronic acid (CAS 204841-19-0) is a chemical compound with molecular formula C8H9BO3 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetylphenyl)boronic acid
Also Known As: 3-Acetylphenylboronic acid, (3-acetylphenyl)boronic Acid, 3-Acetylbenzeneboronic Acid, 3-Acetylphenylboronicacid, 3'-Boronoacetophenone
| Molecular Formula | C8H9BO3 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | -0.431 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.06447 |
| Heavy Atoms | 12 |
| Complexity | 296.10938 |
Chemical Identifiers
| CAS Number | 204841-19-0 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)C(=O)C)(O)O |
Product Overview
3-Acetylphenylboronic acid (CAS 204841-19-0), with molecular formula C8H9BO3 and molecular weight 164.06 g/mol. IUPAC: (3-acetylphenyl)boronic acid.
Chemical Property Profile of 3-Acetylphenylboronic acid
Property Insights of 3-Acetylphenylboronic acid
The XLogP value of -0.431 indicates that 3-Acetylphenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.53 Ų, 3-Acetylphenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetylphenylboronic 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 3-Acetylphenylboronic acid?
The CAS number of 3-Acetylphenylboronic acid is 204841-19-0.
What is the molecular formula of 3-Acetylphenylboronic acid?
The molecular formula of 3-Acetylphenylboronic acid is C8H9BO3.
What is the molecular weight of 3-Acetylphenylboronic acid?
The molecular weight of 3-Acetylphenylboronic acid is 164.06 g/mol.
Where can I buy 3-Acetylphenylboronic acid?
You can request a quote for 3-Acetylphenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylphenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.