2-Acetoxybenzeneboronic acid, pinacol ester
TL;DR: 2-Acetoxybenzeneboronic acid, pinacol ester (CAS 480424-68-8) is a chemical compound with molecular formula C14H19BO4 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
Also Known As: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate, 2-Acetoxyphenylboronic acid pinacol ester, L-4-Benzoylphenylalanine, BM050, 2-Acetoxybenzeneboronic acid pinacol ester
| Molecular Formula | C14H19BO4 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 1.9111 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.13763 |
| Heavy Atoms | 19 |
| Complexity | 479.97427 |
Chemical Identifiers
| CAS Number | 480424-68-8 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC(=O)C |
Product Overview
2-Acetoxybenzeneboronic acid, pinacol ester (CAS 480424-68-8), with molecular formula C14H19BO4 and molecular weight 262.14 g/mol. IUPAC: [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate.
Chemical Property Profile of 2-Acetoxybenzeneboronic acid, pinacol ester
Property Insights of 2-Acetoxybenzeneboronic acid, pinacol ester
The XLogP value of 1.9111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetoxybenzeneboronic acid, pinacol ester. With a topological polar surface area (TPSA) of 44.76 Ų, 2-Acetoxybenzeneboronic acid, pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetoxybenzeneboronic acid, pinacol ester has 0 hydrogen bond donor(s) and 4 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 2-Acetoxybenzeneboronic acid, pinacol ester?
The CAS number of 2-Acetoxybenzeneboronic acid, pinacol ester is 480424-68-8.
What is the molecular formula of 2-Acetoxybenzeneboronic acid, pinacol ester?
The molecular formula of 2-Acetoxybenzeneboronic acid, pinacol ester is C14H19BO4.
What is the molecular weight of 2-Acetoxybenzeneboronic acid, pinacol ester?
The molecular weight of 2-Acetoxybenzeneboronic acid, pinacol ester is 262.14 g/mol.
Where can I buy 2-Acetoxybenzeneboronic acid, pinacol ester?
You can request a quote for 2-Acetoxybenzeneboronic acid, pinacol ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetoxybenzeneboronic acid, pinacol ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetoxybenzeneboronic acid, pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.